Chem
J-GLOBAL ID:200907016569245374   Nikkaji number:J707.547B

Stigmastane-3β,6β-diol

スチグマスタン-3β,6β-ジオール
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: C29H52O2
Molecular formula furigana: C29-H52-O2
Molecular weight: 432.733
InChI: InChI=1S/C29H52O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-27,30-31H,7-17H2,1-6H3/t19-,20-,21+,22+,23-,24+,25+,26?,27-,28-,29-/m1/s1
InChI key: FFLGORGANMRISQ-JHGYZNJBSA-N
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (3):
  • スチグマスタン-3β,6β-ジオール
  • (1R,3aS,3bS,5R,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-エチル-6-メチルヘプタン-2-イル]-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-5,7-ジオール
  • (1R,3aS,3bS,5R,7S,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-5,7-diol
Other name (1):
  • Stigmastane-3β,6β-diol
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