Chemical Compound

(3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one

CAS Registry Number 126054-77-1
(3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one 结构式
Primary record

(3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one

库存
8,597 克
纯度
98.2 %
CAS
126054-77-1

化合物标识与属性

CAS
126054-77-1
PubChem CID
71307451
SMILES
C[C@@]1([C@@H]2C[C@@H](CC[C@@]([C@H]2CC1=O)(CO)O)C(C)(C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
Canonical SMILES
CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@](O)(CO)[C@H]2CC(=O)[C@@](C)(O)[C@@H]2C1

名称与同义词

  • Atractyloside A
  • 126054-77-1
  • AtractylosideA
  • RefChem:115472
  • orb1303740
  • SCHEMBL29636756
  • C21H36O10
  • CHEBI:138832
  • DTXSID901347606
  • HY-N0237
  • MFCD16621069
  • ZINC87493233
  • AKOS030526368
  • ACN-035222
  • CS-2923
  • EBC-616658
  • FA73913
  • AC-34082
  • BS-14865
  • DA-50787
  • J253.497E
  • FT-0696729
  • FT-0776274
  • X1094
  • (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
  • C17858
  • 054A771
  • A1198989
  • (1S,3aS,4R,7R,8aR)-1,4-Dihydroxy-4-(hydroxymethyl)-1-methyl-7-(2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)propan-2-yl)octahydroazulen-2(1H)-one
  • 2(1H)-Azulenone,7-[1-(b-D-glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-, (1S,3aS,4R,7R,8aR)-
  • (1S,3aS,4R,7R,8aR)-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-7-(2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propan-2-yl)-decahydroazulen-2-one
  • (+)-(1S,4S,4aR,8aS)-4-((3S)-3-hydroxy-3-methyl-4-pentenyl)-4a,8,8-trimethyl-3-methylenedecahydro-1-naphthalenol
  • (1S,3abeta,8aalpha)-1-Methyl-1alpha,4alpha-dihydroxy-4-(hydroxymethyl)-7beta-[1-methyl-1-(beta-D-glucopyranosyloxy)ethyl]decahydroazulene-2-one
  • (1S,3AS,4R,7R,8AR)-1,4-DIHYDROXY-4-(HYDROXYMETHYL)-1-METHYL-7-(2-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}PROPAN-2-YL)-HEXAHYDRO-3H-AZULEN-2-ONE
  • (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxypropan-2-yl)-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
  • (3S,3aR,5R,8R,8aS)-3,8-dihydroxy-8-(hydroxymethyl)-3-methyl-5-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-3a,4,5,6,7,8a-hexahydro-1H-azulen-2-one
  • [(1beta,5alpha)-4beta-Methyl-4alpha,10,14-trihydroxy-3-oxo-5-demethylambrosan-11-yl]beta-D-glucopyranoside
  • [1S-(1a,3ass,4a,7ss,8aa)]-7-[1-(ss-D-Glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-2(1H)-azulenone
  • 2(1H)-Azulenone, 7-[1-(b-D-glucopyranosyloxy)-1-methylethyl]octahydro-1,4-dihydroxy-4-(hydroxymethyl)-1-methyl-,(1S,3aS,4R,7R,8aR)-
  • 2-[(3S,3aR,5R,8R,8aS)-3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2- oxodecahydro-5-azulenyl]-2-propanyl EC-D-glucopyranoside
  • 2-[(3S,3aR,5R,8R,8aS)-3,8-Dihydroxy-8-(hydroxymethyl)-3-methyl-2-oxodecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranoside