Chem
J-GLOBAL ID：200907003657760985   Nikkaji number：J1.598.596H

(3S,9bβ)-3β-[(4E)-1-Methylene-5,9-dimethyl-4,8-decadienyl]-6,6,9aβ-trimethyl-3aα-ethyldodecahydro-1H-cyclopenta[a]naphthalene-7β-ol

(3S,9bβ)-3β-[(4E)-1-メチレン-5,9-ジメチル-4,8-デカジエニル]-6,6,9aβ-トリメチル-3aα-エチルドデカヒドロ-1H-シクロペンタ[a]ナフタレン-7β-オール
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： C31H52O
Molecular formula furigana： C31-H52-O
Molecular weight： 440.756
InChI： InChI=1S/C31H52O/c1-9-31-21-18-26-29(6,7)28(32)19-20-30(26,8)27(31)17-16-25(31)24(5)15-11-14-23(4)13-10-12-22(2)3/h12,14,25-28,32H,5,9-11,13,15-21H2,1-4,6-8H3/b23-14+/t25-,26?,27-,28-,30-,31+/m0/s1
InChI key： AOIVYLZQCKCVLA-RQGQJOEDSA-N
SMILES： CC[C@]12CCC3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]1CC[C@H]2C(=C)CC/C=C(\C)/CCC=C(C)C
Systematic name  (3)：
  • (3S,9bβ)-3β-[(4E)-1-メチレン-5,9-ジメチル-4,8-デカジエニル]-6,6,9aβ-トリメチル-3aα-エチルドデカヒドロ-1H-シクロペンタ[a]ナフタレン-7β-オール
  • (3S,3aR,7S,9aR,9bS)-3-[(5E)-6,10-ジメチルウンデカ-1,5,9-トリエン-2-イル]-3a-エチル-6,6,9a-トリメチル-ドデカヒドロ-1H-シクロペンタ[a]ナフタレン-7-オール
  • (3S,3aR,7S,9aR,9bS)-3-[(5E)-6,10-dimethylundeca-1,5,9-trien-2-yl]-3a-ethyl-6,6,9a-trimethyl-dodecahydro-1H-cyclopenta[a]naphthalen-7-ol
Other name (1)：
  • (3S,9bβ)-3β-[(4E)-1-Methylene-5,9-dimethyl-4,8-decadienyl]-6,6,9aβ-trimethyl-3aα-ethyldodecahydro-1H-cyclopenta[a]naphthalene-7β-ol
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