Chem
J-GLOBAL ID：200907087816052376   Nikkaji number：J1.828.391C

7-Oxopetrosterol

7-オキソペトロステロール
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： C29H46O2
Molecular formula furigana： C29-H46-O2
Molecular weight： 426.685
InChI： InChI=1S/C29H46O2/c1-17(22-14-19(22)3)6-7-18(2)23-8-9-24-27-25(11-13-29(23,24)5)28(4)12-10-21(30)15-20(28)16-26(27)31/h16-19,21-25,27,30H,6-15H2,1-5H3/t17-,18-,19-,21+,22+,23-,24+,25+,27+,28+,29-/m1/s1
InChI key： MDEVBHGFFDDBHC-NDOGSGRSSA-N
SMILES： C[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)CC1=CC3=O)[C@@H]1C[C@H]1C
Systematic name  (3)：
  • (24R,25R,27R)-24,27-ジメチル-7-オキソ-26,27-シクロコレスタ-5-エン-3β-オール
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-ヒドロキシ-9a,11a-ジメチル-1-[(2R,5R)-5-[(1R,2R)-2-メチルシクロプロピル]ヘキサン-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-4-オン
  • (1R,3aS,3bS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
Other name (3)：
  • (24R,25R,27R)-24,27-Dimethyl-7-oxo-26,27-cyclocholesta-5-ene-3β-ol
  • 7-オキソペトロステロール
  • 7-Oxopetrosterol
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