Chem
J-GLOBAL ID：200907061749771932   Nikkaji number：J1.953.896F

5α-Stigmastane-3β-ol formate

5α-スチグマスタン-3β-オールホルマート
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： C30H52O2
Molecular formula furigana： C30-H52-O2
Molecular weight： 444.744
InChI： InChI=1S/C30H52O2/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(32-19-31)14-16-29(23,5)28(25)15-17-30(26,27)6/h19-28H,7-18H2,1-6H3/t21-,22-,23+,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChI key： QOQXZEMDHPPNCV-JHLRFVRYSA-N
SMILES： CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC=O)C(C)C
Systematic name  (3)：
  • 5α-スチグマスタン-3β-オールホルマート
  • (1R,3aS,3bR,5aS,7S,9aS,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-7-イル ホルマート
  • (1R,3aS,3bR,5aS,7S,9aS,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl formate
Other name (1)：
  • 5α-Stigmastane-3β-ol formate
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