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
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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:
C31 H52 O
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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