Chemical Compound

((3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) formate

CAS Registry Number 6875-10-1
((3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) formate 结构式
Primary record

((3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) formate

库存
3,492 克
纯度
99.8 %
CAS
6875-10-1

化合物标识与属性

CAS
6875-10-1
PubChem CID
76960910
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC=O)O)C)C)O)OC)O
Canonical SMILES
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C5=CC(=O)OC5)[C@@H](OC=O)C[C@]43O)C2)[C@@H]1O

名称与同义词

  • Verodoxin
  • Strospeside, 16-formate
  • MRI4T5X655
  • Gitaloxigenin + digitalose
  • RefChem:1050191
  • UNII-MRI4T5X655
  • Gitaloxigenin 3-O-digitaloside
  • EINECS 229-976-8
  • Gitaloxigenin + digitalose [German]
  • BRN 0072010
  • J2.390.206K
  • 4-18-00-02478 (Beilstein Handbook Reference)
  • Q27284188
  • 6875-10-1
  • ((3S,5R,8R,9S,10S,13R,14S,16S,17R)-3-((2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) formate
  • (1R,2S,3aS,3bR,5aR,7S,9aS,9bS,11aR)-7-{[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formate
  • (3beta,5beta,16beta)-3-((6-Deoxy-3-O-methyl-D -galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate
  • (3beta,5beta,16beta)-3-((6-Deoxy-3-O-methyl-D-galactopyranosyl)oxy)-14,16-dihydroxycard-20(22)-enolide 16-formate
  • (3beta,5beta,16beta)-3-((6-Deoxy-3-O-methyl-D-galactopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide
  • 16beta-(Formyloxy)-3beta-(3-O-methyl-6-deoxy-beta-D-galactopyranosyloxy)-14-hydroxy-5beta-carda-20(22)-enolide
  • 229-976-8
  • CARD-20(22)-ENOLIDE, 3-((6-DEOXY-3-O-METHYL-D-GALACTOPYRANOSYL)OXY)-16-(FORMYLOXY)-14-HYDROXY-, (3.BETA.,5.BETA.,16.BETA.)-