Chem
J-GLOBAL ID：200907000536003665   Nikkaji number：J2.488.098B

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

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-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： C27H42O10
Molecular formula furigana： C27-H42-O10
Molecular weight： 526.623
InChI： InChI=1S/C27H42O10/c1-25-8-5-14(28)11-13(25)3-4-15-16(25)6-9-26(2)17(15)7-10-27(26,35)18(29)12-36-24-21(32)19(30)20(31)22(37-24)23(33)34/h13-17,19-22,24,28,30-32,35H,3-12H2,1-2H3,(H,33,34)/t13?,14-,15-,16+,17+,19+,20+,21-,22+,24-,25+,26+,27+/m1/s1
InChI key： ZOUIYQYRHDDOIF-ANUZRADWSA-N
SMILES： C[C@]12CC[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-20-オン
  • (2S,3S,4S,5R,6R)-6-{2-[(1R,3aS,3bR,7R,9aS,9bS,11aS)-1,7-ジヒドロキシ-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-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,3bR,7R,9aS,9bS,11aS)-1,7-dihydroxy-9a,11a-dimethyl-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-20-one
Thsaurus map：
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