Chemical Compound

(2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid

CAS Registry Number 78111-17-8
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(2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid 结构式
Primary record

(2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid

库存
599 克
纯度
99.4 %
CAS
78111-17-8

化合物标识与属性

CAS
78111-17-8
PubChem CID
446512
SMILES
C[C@@H]1CC[C@]2(CCCCO2)O[C@@H]1[C@@H](C)C[C@@H]([C@@H]3C(=C)[C@H]([C@H]4[C@H](O3)CC[C@]5(O4)CC[C@@H](O5)/C=C/[C@@H](C)[C@@H]6CC(=C[C@@]7(O6)[C@@H](CC[C@H](O7)C[C@](C)(C(=O)O)O)O)C)O)O
Canonical SMILES
C=C1[C@@H](O)[C@@H]2O[C@]3(CC[C@H](/C=C/[C@@H](C)[C@@H]4CC(C)=C[C@@]5(O[C@H](C[C@@](C)(O)C(=O)O)CC[C@H]5O)O4)O3)CC[C@H]2O[C@@H]1[C@@H](O)C[C@H](C)[C@H]1O[C@@]2(CCCCO2)CC[C@H]1C

名称与同义词

  • okadaic acid
  • Ocadaic Acid
  • halochondrine A
  • 78111-17-8
  • okadaic acid analogue
  • 1jk7
  • Okadaic acid (Standard)
  • AC1L9JRC
  • RefChem:168020
  • D01SLG
  • OKADAIC ACID [MI]
  • Probes1_000180
  • CCRIS 3329
  • CHEMBL280487
  • OKADAIC ACID [HSDB]
  • 35-DEMETHYL-DTX 1
  • 9,10-Deepithio-9,10-didehydroacanthifolicin
  • CHEBI:44658
  • HSDB 7243
  • SCHEMBL131485
  • UNII-1W21G5Q4N2
  • DTXSID60880002
  • C44H68O13
  • OA and NSC 677083
  • 1W21G5Q4N2
  • CHEMBL158524
  • GTPL5349
  • orb1706881
  • HY-N6785R
  • MSK9114
  • 1u32
  • MFCD00083455
  • QNDVLZJODHBUFM-WFXQOWMNSA-N
  • DTXCID901021604
  • NSC-677083
  • HY-N6785
  • Okadaic acid from Prorocentrum concavum
  • 35-DEMETHYLDINOPHYSISTOXIN 1
  • BBF-04094
  • BDBM50097634
  • BDBM50110676
  • CID446512
  • EX-A10340
  • HB0468
  • ZINC85601542
  • 5-tert-Butyl-2-(chloromethyl)oxazole
  • AKOS040742329
  • AT32065
  • DB02169
  • FO73140
  • LS-7835
  • C44-H68-O13
  • Acanthifolicin, 9,10-deepithio-9,10-didehydro-
  • Okadaic acid, 98% - 100UG 100ug
  • DA-66318
  • MS-33396
  • AA8227800
  • CS-0014219
  • V0149
  • M02211
  • S-7783
  • Okadaic acid, Prorocentrum concavum, high purity
  • Q414042
  • A1205099
  • OA
  • Okadaic acid from Prorocentrum concavum, 92-100% (HPLC)
  • (2R)-3-((2S,6R,8S,11R)-2-((E,2R)-4-((2S,2'R,4R,4AS,6R,8AR)-4-HYDROXY-2-((1S,3S)-1-HYDROXY-3-((2S,3R,6S)-3-METHYL-1,7-DIOXASPIRO(5.5)UNDECAN-2-YL)BUTYL)-3-METHYLIDENESPIRO(4A,7,8,8A-TETRAHYDRO-4H-PYRANO(3,2-B)PYRAN-6,5'-OXOLANE)-2'-YL)BUT-3-EN-2-YL)-11-HYDROXY-4-METHYL-1,7-DIOXASPIRO(5.5)UNDEC-4-EN-8-YL)-2-HYDROXY-2-METHYLPROPANOIC ACID
  • (2R)-3-[(2S,5R,6R,8S)-8-[(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-7'-methylidene-hexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl]-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
  • (2R)-3-[(2S,5R,6R,8S)-8-{(2R,3E)-4-[(2R,4'aR,5R,6'S,8'R,8'aS)-8'-Hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl}-7'-methylidenehexahydro-3'H-spiro[oxolane-2,2'-pyrano[3,2-b]pyran]-5-yl]but-3-en-2-yl}-5-hydroxy-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-hydroxy-2-methylpropanoic acid
  • OKA
  • Okadaic acid from Prorocentrum concavum, >=90% (HPLC), translucent film
  • (.ALPHA.R,2S,5R,6R,8S)-.ALPHA.,5-DIHYDROXY-.ALPHA.,10-DIMETHYL-8-((1R,2E)-1-METHYL-3-((2R,4'AR,5R,6'S,8'R,8'AS)-OCTAHYDRO-8'-HYDROXY-6'-((1S,3S)-1-HYDROXY-3-((2S,3R,6S)-3-METHYL-1,7-DIOXASPIRO(5.5)UNDEC-2-YL)BUTYL)-7'-METHYLENESPIRO(FURAN-2(3H),2'(3'H)-PYRANO(3,2-B)PYRAN)-5-YL)-2-PROPEN-1-YL)-1,7-DIOXASPIRO(5.5)UNDEC-10-ENE-2-PROPANOIC ACID
  • (2R)-2-hydroxy-3-[(2S,5R,6R,8S)-5-hydroxy-8-{(1R,2E)-3-[(2R,4a'R,5R,6'S,8'R,8a'S)-8'-hydroxy-6'-{(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl}-7'-methylideneoctahydro-3H,3'H-spiro[furan-2,2'-pyrano[3,2-b]pyran]-5-yl]-1-methylprop-2-en-1-yl}-10-methyl-1,7-dioxaspiro[5.5]undec-10-en-2-yl]-2-methylpropanoic acid
  • (2R)-3-((2S,5R,6R,8S)-8-((2R,3E)-4-((2R,4'aR,5R,6'S,8'R,8'aS)-8'-hydroxy-6'-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)butyl)-7'-methylidene-hexahydro-3'H-spiro(oxolane-2,2'-pyrano(3,2-b)pyran)-5-yl)but-3-en-2-yl)-5-hydroxy-10-methyl-1,7-dioxaspiro(5.5)undec-10-en-2-yl)-2-hydroxy-2-methylpropanoic acid
  • (2R)-3-((2S,6R,8S,11R)-2-((E,2R)-4-((2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-((1S,3S)-1-hydroxy-3-((3R,6S)-3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)butyl)-3-methylidenespiro(4a,7,8,8a-tetrahydro-4H-pyrano(3,2-b)pyran-6,5'-oxolane)-2'-yl)but-3-en-2-yl)-11-hydroxy-4-methyl-1,7-dioxaspiro(5.5)undec-4-en-8-yl)-2-hydroxy-2-methylpropanoic acid
  • (2R)-3-((2S,6R,8S,11R)-2-((E,2R)-4-((2S,2'S,4R,4aS,6R,8aR)-4-hydroxy-2-((1S,3S)-1-hydroxy-3-((2S,3R,6S)-3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)butyl)-3-methylidenespiro(4a,7,8,8a-tetrahydro-4H-pyrano(3,2-b)pyran-6,5'-oxolane)-2'-yl)but-3-en-2-yl)-11-hydroxy-4-methyl-1,7-dioxaspiro(5.5)undec-4-en-8-yl)-2-hydroxy-2-methylpropanoic acid
  • (2R)-3-[(2S,6R,8S,11R)-2-[(E,1R)-3-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methyl-propanoic acid
  • (2R)-3-[(2S,6R,8S,11R)-2-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid
  • (2R)-3-[(4S,6R,7R,10S)-4-[(E,2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(6S,9R,10S)-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-hydroxy-2-methyl-5,11-dioxaspiro[5.5]undec-1-en-10-yl]-2-hydroxy-2-methylpropanoic acid
  • 1,7-DIOXASPIRO(5.5)UNDEC-10-ENE-2-PROPANOIC ACID, .ALPHA.,5-DIHYDROXY-.ALPHA.,10-DIMETHYL-8-((1R,2E)-1-METHYL-3-((2R,4'AR,5R,6'S,8'R,8'AS)-OCTAHYDRO-8'-HYDROXY-6'-((1S,3S)-1-HYDROXY-3-((2S,3R,6S)-3-METHYL-1,7-DIOXASPIRO(5.5)UNDEC-2-YL)BUTYL)-7'-METHYLENESPIRO(FURAN-2(3H),2'(3'H)-PYRANO(3,2-B)PYRAN)-5-YL)-2-PROPEN-1-YL)-, (.ALPHA.R,2S,5R,6R,8S)-
  • 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, .alpha,5-dihydroxy-.alpha.,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenespiro[furan-2(3H),2'(3'H)-pyrano[3,2-b]pyran]-5-yl]-2-propen-1-yl]-, (.alpha.R,2S,5R,6R,8S)-
  • 1,7-Dioxaspiro[5.5]undec-10-ene-2-propanoic acid, .alpha.,5-dihydroxy-.alpha.,10-dimethyl-8-[(1R,2E)-1-methyl-3-[(2R,4'aR,5R,6'S,8'R,8'aS)-octahydro-8'-hydroxy-6'-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undec-2-yl]butyl]-7'-methylenes
  • 175522-42-6
  • 2-hydroxy-3-(5-hydroxy-8-((3E)-4-(8'-hydroxy-6'-(1-hydroxy-3-(3-methyl-1,7-dioxaspiro(5.5)undecan-2-yl)butyl)-7'-methylidene-hexahydro-3'H-spiro(oxolane-2,2'-pyrano(3,2-b)pyran)-5-yl)but-3-en-2-yl)-10-methyl-1,7-dioxaspiro(5.5)undec-10-en-2-yl)-2-methylpropanoic acid
  • 616-589-8
  • methyl (2R)-3-((2S,6R,8S,11R)-2-((2R)-4-((2S,2'S,4R,4aS,6R,8aR)-2-((1S,3S)-3-((2S,3R,6R,11R)-3,11-dimethyl-1,7-dioxaspiro(5.5)undecan-2-yl)-1-hydroxybutyl)-4-hydroxy-3-methylidenespiro(4a,7,8,8a-tetrahydro-4H-pyrano(3,2-b)pyran-6,5'-oxolane)-2'-yl)butan-2-yl)-11-hydroxy-4-methyl-1,7-dioxaspiro(5.5)undec-4-en-8-yl)-2-hydroxy-2-methylpropanoate