Chem
J-GLOBAL ID:200907048394141154   Nikkaji number:J452.109I

(22S,23S)-22,23-Dihydroxy-5α-stigmast-2-en-6-one

(22S,23S)-22,23-ジヒドロキシ-5α-スチグマスタ-2-エン-6-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: C29H48O3
Molecular formula furigana: C29-H48-O3
Molecular weight: 444.700
InChI: InChI=1S/C29H48O3/c1-7-19(17(2)3)27(32)26(31)18(4)21-11-12-22-20-16-25(30)24-10-8-9-14-28(24,5)23(20)13-15-29(21,22)6/h8-9,17-24,26-27,31-32H,7,10-16H2,1-6H3/t18-,19-,20-,21+,22-,23-,24+,26-,27-,28+,29+/m0/s1
InChI key: JBOCMRMDVSHOQY-LMTZFTIRSA-N
SMILES: CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4):
  • (22S,23S,24S)-22,23-ジヒドロキシ-24-エチル-5α-コレスタ-2-エン-6-オン
  • (22S,23S)-22,23-ジヒドロキシ-5α-スチグマスタ-2-エン-6-オン
  • (1R,3aS,3bS,5aS,9aR,9bS,11aS)-1-[(2S,3S,4S,5S)-5-エチル-3,4-ジヒドロキシ-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-5-オン
  • (1R,3aS,3bS,5aS,9aR,9bS,11aS)-1-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-one
Other name (2):
  • (22S,23S)-22,23-Dihydroxy-5α-stigmast-2-en-6-one
  • (22S,23S,24S)-22,23-Dihydroxy-24-ethyl-5α-cholest-2-en-6-one
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