Chem
J-GLOBAL ID:200907082817434840   Nikkaji number:J1.679.690E

(3aS)-3-Methyl-5α-[(1S)-1,5-dimethyl-4-hexenyl]-8-methylene-1,3aα,4,5,6,7,8,8aβ-octahydroazulene-4α-ol

(3aS)-3-メチル-5α-[(1S)-1,5-ジメチル-4-ヘキセニル]-8-メチレン-1,3aα,4,5,6,7,8,8aβ-オクタヒドロアズレン-4α-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: C20H32O
Molecular formula furigana: C20-H32-O
Molecular weight: 288.475
InChI: InChI=1S/C20H32O/c1-13(2)7-6-8-14(3)18-12-9-15(4)17-11-10-16(5)19(17)20(18)21/h7,10,14,17-21H,4,6,8-9,11-12H2,1-3,5H3/t14-,17-,18-,19+,20+/m0/s1
InChI key: KFIZBQZEEKZCAT-SQWSIXGCSA-N
SMILES: C[C@@H](CCC=C(C)C)[C@@H]1CCC(=C)[C@@H]2CC=C(C)[C@H]2[C@@H]1O
Systematic name  (3):
  • (3aS)-3-メチル-5α-[(1S)-1,5-ジメチル-4-ヘキセニル]-8-メチレン-1,3aα,4,5,6,7,8,8aβ-オクタヒドロアズレン-4α-オール
  • (3aS,4R,5S,8aR)-3-メチル-5-[(2S)-6-メチルヘプタ-5-エン-2-イル]-8-メチリデン-1,3a,4,5,6,7,8,8a-オクタヒドロアズレン-4-オール
  • (3aS,4R,5S,8aR)-3-methyl-5-[(2S)-6-methylhept-5-en-2-yl]-8-methylidene-1,3a,4,5,6,7,8,8a-octahydroazulen-4-ol
Other name (1):
  • (3aS)-3-Methyl-5α-[(1S)-1,5-dimethyl-4-hexenyl]-8-methylene-1,3aα,4,5,6,7,8,8aβ-octahydroazulene-4α-ol
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