Chem
J-GLOBAL ID：200907067030395759   Nikkaji number：J1.503.377K

KA-A

KA-A
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： C25H40O2
Molecular formula furigana： C25-H40-O2
Molecular weight： 372.593
InChI： InChI=1S/C25H40O2/c1-18(2)9-7-14-24(5)15-8-16-25(6)21(20(4)11-13-22(24)25)12-10-19(3)17-23(26)27/h9,11,17,21-22H,7-8,10,12-16H2,1-6H3,(H,26,27)/b19-17+/t21-,22-,24-,25+/m0/s1
InChI key： WZOUGXJIBZOMTP-CTXZGABSSA-N
SMILES： CC(=CCC[C@@]1(C)CCC[C@]2(C)[C@@H](CC/C(=C/C(=O)O)/C)C(=CC[C@@H]12)C)C
Systematic name  (3)：
  • (2E)-3-メチル-5-[(1S)-1,4,4aα,5,6,7,8,8a-オクタヒドロ-2,5α,8aβ-トリメチル-5-(4-メチル-3-ペンテニル)ナフタレン-1β-イル]-2-ペンテン酸
  • (2E)-5-[(1S,4aS,5R,8aS)-2,5,8a-トリメチル-5-(4-メチルペンタ-3-エン-1-イル)-1,4,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]-3-メチルペンタ-2-エン酸
  • (2E)-5-[(1S,4aS,5R,8aS)-2,5,8a-trimethyl-5-(4-methylpent-3-en-1-yl)-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-methylpent-2-enoic acid
Other name (5)：
  • (2E)-3-Methyl-5-[(1S)-1,4,4aα,5,6,7,8,8a-octahydro-2,5α,8aβ-trimethyl-5-(4-methyl-3-pentenyl)naphthalene-1β-yl]-2-pentenoic acid
  • コハマイン酸A
  • Kohamaic acid A
  • コハマ酸A
  • KA-A
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