Chem
J-GLOBAL ID：200907007745133341   Nikkaji number：J2.488.096F

3α-(β-D-Glucopyranuronosyloxy)-11β,17,21-trihydroxypregnane-20-one

3α-(β-D-グルコピラヌロノシルオキシ)-11β,17,21-トリヒドロキシプレグナン-20-オン
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： C27H42O11
Molecular formula furigana： C27-H42-O11
Molecular weight： 542.622
InChI： InChI=1S/C27H42O11/c1-25-7-5-13(37-24-21(33)19(31)20(32)22(38-24)23(34)35)9-12(25)3-4-14-15-6-8-27(36,17(30)11-28)26(15,2)10-16(29)18(14)25/h12-16,18-22,24,28-29,31-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13-,14+,15+,16+,18-,19+,20+,21-,22+,24-,25+,26+,27+/m1/s1
InChI key： OZINUFSVVJAFHD-BURWAIBPSA-N
SMILES： C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4C[C@@H](CC[C@]34C)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)[C@@H]1CC[C@]2(O)C(=O)CO
Systematic name  (3)：
  • 3α-(β-D-グルコピラヌロノシルオキシ)-11β,17,21-トリヒドロキシプレグナン-20-オン
  • (2S,3S,4S,5R,6R)-6-{[(1R,3aS,3bS,7R,9aS,9bS,10S,11aS)-1,10-ジヒドロキシ-1-(2-ヒドロキシアセチル)-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-イル]オキシ}-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-{[(1R,3aS,3bS,7R,9aS,9bS,10S,11aS)-1,10-dihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 3α-(β-D-Glucopyranuronosyloxy)-11β,17,21-trihydroxypregnane-20-one
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