Chem
J-GLOBAL ID：200907020451904362   Nikkaji number：J2.097.733G

Eujavanoic acid B methyl ester

オイジャバン酸Bメチルエステル
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： C15H24O3
Molecular formula furigana： C15-H24-O3
Molecular weight： 252.354
InChI： InChI=1S/C15H24O3/c1-10-3-4-11-9-12(16)5-6-14(11)13(10)7-8-15(17)18-2/h3-4,10-14,16H,5-9H2,1-2H3/t10-,11-,12-,13-,14-/m0/s1
InChI key： GERPKHHJGLYVJC-PEDHHIEDSA-N
SMILES： COC(=O)CC[C@H]1[C@@H](C)C=C[C@H]2C[C@@H](O)CC[C@H]12
Systematic name  (3)：
  • 6β-ヒドロキシ-1,2,4aα,5,6,7,8,8aβ-オクタヒドロ-2β-メチルナフタレン-1β-プロパン酸メチル
  • メチル 3-[(1S,2S,4aR,6S,8aS)-6-ヒドロキシ-2-メチル-1,2,4a,5,6,7,8,8a-オクタヒドロナフタレン-1-イル]プロパノアート
  • methyl 3-[(1S,2S,4aR,6S,8aS)-6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]propanoate
Other name (3)：
  • 6β-Hydroxy-1,2,4aα,5,6,7,8,8aβ-octahydro-2β-methylnaphthalene-1β-propanoic acid methyl ester
  • オイジャバン酸Bメチルエステル
  • Eujavanoic acid B methyl ester
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