Chem
J-GLOBAL ID：200907025767306566
Nikkaji number：J1.454.028H
(1S)-1β-[(3E,7E)-4,8,12-Trimethyl-3,7,11-tridecatrienyl]-2-methylene-5,5,8aβ-trimethyldecalin
(1S)-1β-[(3E,7E)-4,8,12-トリメチル-3,7,11-トリデカトリエニル]-2-メチレン-5,5,8aβ-トリメチルデカリン
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： C30H50
Molecular formula furigana： C30-H50
Molecular weight： 410.730
InChI：
InChI=1S/C30H50/c1-23(2)13-9-14-24(3)15-10-16-25(4)17-11-18-27-26(5)19-20-28-29(6,7)21-12-22-30(27,28)8/h13,15,17,27-28H,5,9-12,14,16,18-22H2,1-4,6-8H3/b24-15+,25-17+/t27-,28?,30+/m0/s1
InChI key：
IPRRCLUFQNXFGA-TUXPUSHSSA-N
SMILES：
CC(=CCC/C(=C/CC/C(=C/CC[C@H]1C(=C)CCC2C(C)(C)CCC[C@]12C)/C)/C)C
Systematic name (4)：
- (1S)-1β-[(3E,7E)-4,8,12-トリメチル-3,7,11-トリデカトリエニル]-2-メチレン-5,5,8aβ-トリメチルデカリン
- (1S)-デカヒドロ-1β-[(3E,7E)-4,8,12-トリメチル-3,7,11-トリデカトリエニル]-2-メチレン-5,5,8aβ-トリメチルナフタレン
- (4aS,5S)-1,1,4a-トリメチル-6-メチリデン-5-[(3E,7E)-4,8,12-トリメチルトリデカ-3,7,11-トリエン-1-イル]-デカヒドロナフタレン
- (4aS,5S)-1,1,4a-trimethyl-6-methylidene-5-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-decahydronaphthalene
- (1S)-1β-[(3E,7E)-4,8,12-Trimethyl-3,7,11-tridecatrienyl]-2-methylene-5,5,8aβ-trimethyldecalin
- (1S)-Decahydro-1β-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2-methylene-5,5,8aβ-trimethylnaphthalene
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