Chem
J-GLOBAL ID：200907095469792286
Nikkaji number：J1.679.688C
(6S)-6-[[(3aS)-3-Methyl-4α-hydroxy-8-methylene-1,3aα,4,5,6,7,8,8aβ-octahydroazulene]-5α-yl]-2-methyl-3-heptanone
(6S)-6-[[(3aS)-3-メチル-4α-ヒドロキシ-8-メチレン-1,3aα,4,5,6,7,8,8aβ-オクタヒドロアズレン]-5α-イル]-2-メチル-3-ヘプタノン
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： C20H32O2
Molecular formula furigana： C20-H32-O2
Molecular weight： 304.474
InChI：
InChI=1S/C20H32O2/c1-12(2)18(21)11-8-14(4)17-10-6-13(3)16-9-7-15(5)19(16)20(17)22/h7,12,14,16-17,19-20,22H,3,6,8-11H2,1-2,4-5H3/t14-,16-,17-,19+,20+/m0/s1
InChI key：
WRNJOWBLYXORDM-MBKANNOKSA-N
SMILES：
CC(C)C(=O)CC[C@H](C)[C@@H]1CCC(=C)[C@@H]2CC=C(C)[C@H]2[C@@H]1O
Systematic name (3)：
- (6S)-6-[[(3aS)-3-メチル-4α-ヒドロキシ-8-メチレン-1,3aα,4,5,6,7,8,8aβ-オクタヒドロアズレン]-5α-イル]-2-メチル-3-ヘプタノン
- (6S)-6-[(3aS,4R,5S,8aR)-4-ヒドロキシ-3-メチル-8-メチリデン-1,3a,4,5,6,7,8,8a-オクタヒドロアズレン-5-イル]-2-メチルヘプタン-3-オン
- (6S)-6-[(3aS,4R,5S,8aR)-4-hydroxy-3-methyl-8-methylidene-1,3a,4,5,6,7,8,8a-octahydroazulen-5-yl]-2-methylheptan-3-one
- (6S)-6-[[(3aS)-3-Methyl-4α-hydroxy-8-methylene-1,3aα,4,5,6,7,8,8aβ-octahydroazulene]-5α-yl]-2-methyl-3-heptanone
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