Chemical Compound

(2S,3S,4S,5R,6R)-6-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS Registry Number 7301-54-4
(2S,3S,4S,5R,6R)-6-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 结构式
Primary record

(2S,3S,4S,5R,6R)-6-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

库存
5,620 克
纯度
99.3 %
CAS
7301-54-4

化合物标识与属性

CAS
7301-54-4
PubChem CID
71314978
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O
Canonical SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Cortisol Glucuronide
  • Cortisol 21-Glucuronide
  • Cortisol 21-b-D-Glucuronide
  • Cortisol 21-|A-D-Glucuronide
  • ZINC77286045
  • J2.159.471G
  • 21-Deoxycortisol-21-yl beta-D-glucopyranosiduronic acid
  • 7301-54-4
  • [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2 ,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2 -oxo-ethyl] (2S,3S,4S,5R)-2,3,4,5-tetrahydroxy-6-oxo-hexanoate
  • (11|A)-11,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl |A-D-Glucopyranosiduronic Acid
  • 11|A,17-Dihydroxy-3,20-dioxopregn-4-en-21-yl |A-D-Glucopyranosiduronic Acid
  • 11beta,17alpha-Dihydroxy-3,20-dioxopregna-4-ene-21-yl beta-D-glucopyranosiduronic acid
  • 21-(|A-D-Glucopyranuronosyloxy)-11|A,17-dihydroxy-pregn-4-ene-3,20-dione
  • (2S,3S,4S,5R,6R)-6-{2-[(1R,3aS,3bS,9aR,9bS,10S,11aS)-1,10-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid