Chem
J-GLOBAL ID：200907035798653120
Nikkaji number：J468.852J
(5α,8α,9S,13E)-Cleroda-3,13-dien-15-oic acid methyl ester
(5α,8α,9S,13E)-クレロダ-3,13-ジエン-15-酸メチル
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
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
Molecular formula： C21H34O2
Molecular formula furigana： C21-H34-O2
Molecular weight： 318.501
InChI：
InChI=1S/C21H34O2/c1-15(14-19(22)23-6)10-12-20(4)17(3)11-13-21(5)16(2)8-7-9-18(20)21/h8,14,17-18H,7,9-13H2,1-6H3/b15-14+/t17-,18+,20+,21+/m1/s1
InChI key：
ULUVTDOVIRYSSF-QTAQDSFMSA-N
SMILES：
COC(=O)/C=C(\C)/CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@H]1CCC=C2C
Systematic name (3)：
- (5α,8α,9S,13E)-クレロダ-3,13-ジエン-15-酸メチル
- メチル (2E)-5-[(1S,2R,4aR,8aS)-1,2,4a,5-テトラメチル-1,2,3,4,4a,7,8,8a-オクタヒドロナフタレン-1-イル]-3-メチルペンタ-2-エノアート
- methyl (2E)-5-[(1S,2R,4aR,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-enoate
- (5α,8α,9S,13E)-Cleroda-3,13-dien-15-oic acid methyl ester
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