Chem
J-GLOBAL ID:200907065630323767   Nikkaji number:J83.547A

Stigmast-4-en-3-one

スチグマスタ-4-エン-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: C29H48O
Molecular formula furigana: C29-H48-O
Molecular weight: 412.702
InChI: InChI=1S/C29H48O/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/h18-21,24-27H,7-17H2,1-6H3/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChI key: RUVUHIUYGJBLGI-XJZKHKOHSA-N
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (4):
  • (24R)-24-エチルコレスタ-4-エン-3-オン
  • スチグマスタ-4-エン-3-オン
  • (1R,3aS,3bS,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-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-1-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (10):
  • β-シトステノン
  • β-Sitostenone
  • Stigmast-4-en-3-one
  • 3-オキソ-Δ4,5-シトステロン
  • 3-Oxo-Δ4,5-sitosterone
Show all
CAS registry number: 1058-61-3
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