Chem
J-GLOBAL ID：200907090276556184   Nikkaji number：J2.488.097D

21-(β-D-Glucopyranuronosyloxy)-3α,17-dihydroxypregnane-11,20-dione

21-(β-D-グルコピラヌロノシルオキシ)-3α,17-ジヒドロキシプレグナン-11,20-ジオン
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： C27H40O11
Molecular formula furigana： C27-H40-O11
Molecular weight： 540.606
InChI： InChI=1S/C27H40O11/c1-25-7-5-13(28)9-12(25)3-4-14-15-6-8-27(36,26(15,2)10-16(29)18(14)25)17(30)11-37-24-21(33)19(31)20(32)22(38-24)23(34)35/h12-15,18-22,24,28,31-33,36H,3-11H2,1-2H3,(H,34,35)/t12?,13-,14+,15+,18-,19+,20+,21-,22+,24-,25+,26+,27+/m1/s1
InChI key： MORMNGFOZOQHML-KTKPBOELSA-N
SMILES： C[C@]12CC(=O)[C@H]3[C@@H](CCC4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O
Systematic name  (3)：
  • 21-(β-D-グルコピラヌロノシルオキシ)-3α,17-ジヒドロキシプレグナン-11,20-ジオン
  • (2S,3S,4S,5R,6R)-6-{2-[(1R,3aS,3bS,7R,9aS,9bS,11aS)-1,7-ジヒドロキシ-9a,11a-ジメチル-10-オキソ-ヘキサデカヒドロ-1H-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-[(1R,3aS,3bS,7R,9aS,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-10-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-oxoethoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1)：
  • 21-(β-D-Glucopyranuronosyloxy)-3α,17-dihydroxypregnane-11,20-dione
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