Chem
J-GLOBAL ID:200907059261300553   Nikkaji number:J108.425I

Methyl isopimarate

イソピマル酸メチル
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: C21H32O2
Molecular formula furigana: C21-H32-O2
Molecular weight: 316.485
InChI: InChI=1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,8,16-17H,1,7,9-14H2,2-5H3/t16-,17+,19-,20+,21+/m0/s1
InChI key: QMZKBAQNFAMESG-GBMAXXPESA-N
SMILES: COC(=O)[C@]1(C)CCC[C@]2(C)[C@H]3CC[C@@](C)(CC3=CC[C@@H]12)C=C
Systematic name  (4):
  • (13S)-ピマラ-7,15-ジエン-18-酸メチル
  • (1R)-7α-エテニル-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-ドデカヒドロ-1,4aβ,7-トリメチル-1α-フェナントレンカルボン酸メチル
  • メチル (1R,4aR,4bS,7S,10aR)-7-エテニル-1,4a,7-トリメチル-1,2,3,4,4a,4b,5,6,7,8,10,10a-ドデカヒドロフェナントレン-1-カルボキシラート
  • methyl (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthrene-1-carboxylate
Other name (6):
  • イソピマル酸メチルエステル
  • メチルイソピマラート
  • Isopimaric acid methyl ester
  • Methyl isopimarate
  • (1R)-7α-Ethenyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1α-phenanthrenecarboxylic acid methyl ester
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CAS registry number: 1686-62-0
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