Chem
J-GLOBAL ID：200907066628691550   Nikkaji number：J2.019.377H

Ophirasterol

オフィラステロール
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： C31H50O
Molecular formula furigana： C31-H50-O
Molecular weight： 438.740
InChI： InChI=1S/C31H50O/c1-8-21(4)25(20(2)3)11-9-22(5)27-13-14-28-26-12-10-23-19-24(32)15-17-30(23,6)29(26)16-18-31(27,28)7/h9-11,20,22,24-29,32H,4,8,12-19H2,1-3,5-7H3/b11-9+/t22-,24+,25+,26+,27-,28+,29+,30+,31-/m1/s1
InChI key： STYBCRIYKHUQIP-XGWSJNJFSA-N
SMILES： CCC(=C)[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
Systematic name  (3)：
  • (22E,24R)-24-(1-ブテン-2-イル)コレスタ-5,22-ジエン-3β-オール
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R,3E,5R)-6-メチリデン-5-(プロパン-2-イル)オクタ-3-エン-2-イル]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オール
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R,3E,5R)-6-methylidene-5-(propan-2-yl)oct-3-en-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
Other name (3)：
  • (22E,24R)-24-(1-Butene-2-yl)cholesta-5,22-diene-3β-ol
  • オフィラステロール
  • Ophirasterol
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