Chemical Compound

(2S,3R,4R,6R)-6-[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate

CAS Registry Number 81552-36-5
返回搜索 申请报价
(2S,3R,4R,6R)-6-[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate 结构式
Primary record

(2S,3R,4R,6R)-6-[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate

库存
5,107 克
纯度
99.3 %
CAS
81552-36-5

化合物标识与属性

CAS
81552-36-5
PubChem CID
49799758
SMILES
C[C@H]1[C@H]([C@](C[C@@H](O1)O[C@H]2C[C@@H](C(=O)C3=C(C4=C(C=C(C5=C4O[C@@]6([C@@H]7[C@H]5O[C@]([C@]68CO8)(O7)C(OC)OC)O[C@H]9C[C@H]([C@]([C@@H](O9)C)(C(=O)C)O)O)C)C(=C23)OC)O)O)(C)O)OC(=O)C
Canonical SMILES
COc1c2c(c(O)c3c4c(c(C)cc13)[C@@H]1O[C@@]3(C(OC)OC)O[C@@H]1[C@@](O[C@H]1C[C@@H](O)[C@@](O)(C(C)=O)[C@H](C)O1)(O4)[C@@]31CO1)C(=O)[C@@H](O)C[C@@H]2O[C@H]1C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O1

名称与同义词

  • Trioxacarcin A
  • RefChem:933468
  • DTXSID801317436
  • orb2813837
  • CHEMBL1171076
  • SCHEMBL29885052
  • DTXCID501747248
  • J2.027.326G
  • 81552-36-5
  • Q27460723
  • (1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-Acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-2H,4H-spiro[2,4-epoxyanthra[1,2-b]furo[2,3-e]pyran-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside
  • (1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4H-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside
  • (2R,3aS,7S,9S,13S,13aS,14S)-2-(Dimethoxymethyl)-4-methyl-6-methoxy-7-(3-C-methyl-4-O-acetyl-2,6-dideoxy-alpha-L-idopyranosyloxy)-9,11-dihydroxy-13-(4-C-acetyl-2,6-dideoxy-alpha-L-idopyranosyloxy)spiro[2,13-methano-3a,7,8,9,10,13,13a-heptahydro-2H-1,3,12-trioxa-1H-indeno[5,4-a]anthracene-14,2 -oxirane]-10-one
  • (2S,3R,4R,6R)-6-[(1S,8S,10S,17S,18S,19R,21S)-17-{[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-19-(dimethoxymethyl)-10,13-dihydroxy-6-methoxy-3-methyl-16,20,22-trioxaspiro[hexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosane-18,2'-oxirane]-2,4,6,12,14-pentaen-11-oneoxy]-4-hydroxy-2,4-dimethyloxan-3-yl acetate
  • Spiro[2,13-methano-10H-anthra[1,2-b]-1,3-dioxolo[4,5-d]pyran-14,2'-oxiran]-10-one, 13-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-7-[(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-3a,7,8,9,13,13a-hexahydro-9,11-dihydroxy-6-methoxy-4-methyl-, (2R,2'S,3aS,7S,9S,13S,13aS)-