Chem
J-GLOBAL ID：200907065275874730   Nikkaji number：J688.377J

Stigmastan-3-one

スチグマスタン-3-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： C29H50O
Molecular formula furigana： C29-H50-O
Molecular weight： 414.718
InChI： InChI=1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-22,24-27H,7-18H2,1-6H3/t20-,21-,22?,24+,25-,26+,27+,28+,29-/m1/s1
InChI key： BVVFRHKBULZQCQ-RLYMQTCXSA-N
SMILES： CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (4)：
  • スチグマスタ-3-オン
  • スチグマスタン-3-オン
  • (1R,3aS,3bR,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-オン
  • (1R,3aS,3bR,9aS,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (2)：
  • Stigmastan-3-one
  • Stigmast-3-one
Thsaurus map：
Thesaurus Map

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