Chem
J-GLOBAL ID：200907039781394606
Nikkaji number：J916.497I
(1S,4aβ,5β,8aα)-5-[(Z)-4-Carboxy-3-methyl-3-butenyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
(1S,4aβ,5β,8aα)-5-[(Z)-4-カルボキシ-3-メチル-3-ブテニル]デカヒドロ-1,4a-ジメチル-6-メチレン-1-ナフタレンカルボン酸
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： C20H30O4
Molecular formula furigana： C20-H30-O4
Molecular weight： 334.456
InChI：
InChI=1S/C20H30O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h12,15-16H,2,5-11H2,1,3-4H3,(H,21,22)(H,23,24)/b13-12-/t15-,16+,19+,20-/m0/s1
InChI key：
QYCOHMYDSOZCQD-IDVMRNNNSA-N
SMILES：
C/C(=C/C(=O)O)/CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)O
Systematic name (3)：
- (1S,4aβ,5β,8aα)-5-[(Z)-4-カルボキシ-3-メチル-3-ブテニル]デカヒドロ-1,4a-ジメチル-6-メチレン-1-ナフタレンカルボン酸
- (1S,4aR,5S,8aR)-5-[(3Z)-4-カルボキシ-3-メチルブタ-3-エン-1-イル]-1,4a-ジメチル-6-メチリデン-デカヒドロナフタレン-1-カルボン酸
- (1S,4aR,5S,8aR)-5-[(3Z)-4-carboxy-3-methylbut-3-en-1-yl]-1,4a-dimethyl-6-methylidene-decahydronaphthalene-1-carboxylic acid
- (1S,4aβ,5β,8aα)-5-[(Z)-4-Carboxy-3-methyl-3-butenyl]decahydro-1,4a-dimethyl-6-methylene-1-naphthalenecarboxylic acid
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