Chem
J-GLOBAL ID：200907022993031988   Nikkaji number：J1.858.670C

(1E)-2-(Benzyloxy)-11α-hydroxy-17,17-[ethylenebis(oxy)]-5-desethyl-2,3-secoandrosta-1,8-diene

(1E)-2-(ベンジルオキシ)-11α-ヒドロキシ-17,17-[エチレンビス(オキシ)]-5-デスエチル-2,3-セコアンドロスタ-1,8-ジエン
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： C26H34O4
Molecular formula furigana： C26-H34-O4
Molecular weight： 410.554
InChI： InChI=1S/C26H34O4/c1-24(13-14-28-18-19-7-4-3-5-8-19)11-6-9-20-21-10-12-26(29-15-16-30-26)25(21,2)17-22(27)23(20)24/h3-5,7-8,13-14,21-22,27H,6,9-12,15-18H2,1-2H3/b14-13+/t21-,22+,24+,25-/m0/s1
InChI key： UBSQSQLPUOZGRQ-YBAXLPHESA-N
SMILES： C[C@]12C[C@@H](O)C3=C(CCC[C@]3(C)/C=C/OCc3ccccc3)[C@@H]1CCC12OCCO1
Systematic name  (3)：
  • (1E)-2-(ベンジルオキシ)-11α-ヒドロキシ-17,17-[エチレンビス(オキシ)]-5-デスエチル-2,3-セコアンドロスタ-1,8-ジエン
  • (3aS,5R,6R,9bS)-6-[(1E)-2-(ベンジルオキシ)エテニル]-3a,6-ジメチル-1,2,3a,4,5,6,7,8,9,9b-デカヒドロスピロ[シクロペンタ[a]ナフタレン-3,2'-[1,3]ジオキソラン]-5-オール
  • (3aS,5R,6R,9bS)-6-[(1E)-2-(benzyloxy)ethenyl]-3a,6-dimethyl-1,2,3a,4,5,6,7,8,9,9b-decahydrospiro[cyclopenta[a]naphthalene-3,2'-[1,3]dioxolan]-5-ol
Other name (1)：
  • (1E)-2-(Benzyloxy)-11α-hydroxy-17,17-[ethylenebis(oxy)]-5-desethyl-2,3-secoandrosta-1,8-diene
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