Chem
J-GLOBAL ID：200907000066375404   Nikkaji number：J181.344G

Pubesenolide

プベセノリド
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： C28H42O5
Molecular formula furigana： C28-H42-O5
Molecular weight： 458.639
InChI： InChI=1S/C28H42O5/c1-15-11-24(33-26(32)20(15)14-29)16(2)21-7-8-22-19-6-5-17-12-18(30)13-25(31)28(17,4)23(19)9-10-27(21,22)3/h5,16,18-19,21-25,29-31H,6-14H2,1-4H3/t16-,18+,19-,21+,22-,23-,24+,25-,27+,28-/m0/s1
InChI key： FYYIHVSEGVWNCF-RMDUJBCISA-N
SMILES： C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(=C(CO)C(=O)O1)C
Systematic name  (4)：
  • [22R,(+)]-1α,3β,22,27-テトラヒドロキシエルゴスタ-5,24-ジエン-26-酸26,22-ラクトン
  • (22R)-1α,3β,22,27-テトラヒドロキシエルゴスタ-5,24-ジエン-26-酸26,22-ラクトン
  • (6R)-6-[(1S)-1-[(1R,3aS,3bS,7R,9S,9aR,9bS,11aS)-7,9-ジヒドロキシ-9a,11a-ジメチル-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-1-イル]エチル]-3-(ヒドロキシメチル)-4-メチル-5,6-ジヒドロ-2H-ピラン-2-オン
  • (6R)-6-[(1S)-1-[(1R,3aS,3bS,7R,9S,9aR,9bS,11aS)-7,9-dihydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
Other name (11)：
  • (+)-プベセノリド
  • プベセノリド
  • (+)-1α,3β,27-Trihydroxy-5,24-withadienolide
  • (+)-Pubesenolide
  • Pubesenolide
Show all
CAS registry number： 98569-64-3
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