Chem
J-GLOBAL ID:200907051089641687   Nikkaji number:J2.747.346F

11β-Hydroxy-3,20-dioxopregna-4-ene-21-yl β-D-glucopyranosiduronic acid

11β-ヒドロキシ-3,20-ジオキソプレグナ-4-エン-21-イルβ-D-グルコピラノシドウロン酸
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H38O10
Molecular formula furigana: C27-H38-O10
Molecular weight: 522.591
InChI: InChI=1S/C27H38O10/c1-26-8-7-13(28)9-12(26)3-4-14-15-5-6-16(27(15,2)10-17(29)19(14)26)18(30)11-36-25-22(33)20(31)21(32)23(37-25)24(34)35/h9,14-17,19-23,25,29,31-33H,3-8,10-11H2,1-2H3,(H,34,35)/t14-,15-,16+,17-,19+,20-,21-,22+,23-,25+,26-,27-/m0/s1
InChI key: MTKMNYUBKMNOBX-GKBZIKRNSA-N
SMILES: C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3):
  • 11β-ヒドロキシ-3,20-ジオキソプレグナ-4-エン-21-イルβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6R)-6-{2-[(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-ヒドロキシ-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-オキソエトキシ}-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6R)-6-{2-[(1S,3aS,3bS,9aR,9bS,10S,11aS)-10-hydroxy-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
Other name (1):
  • 11β-Hydroxy-3,20-dioxopregna-4-ene-21-yl β-D-glucopyranosiduronic acid
Thsaurus map:

Return to Previous Page