Chem
J-GLOBAL ID：200907020330351129   Nikkaji number：J111.454I

Methyl 6-dehydroabietate

6-デヒドロアビエチン酸メチル
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： C21H28O2
Molecular formula furigana： C21-H28-O2
Molecular weight： 312.453
InChI： InChI=1S/C21H28O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h7-10,13-14,18H,6,11-12H2,1-5H3/t18-,20-,21-/m1/s1
InChI key： GNEXBBYESLSHNT-HMXCVIKNSA-N
SMILES： COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1C=Cc1cc(ccc21)C(C)C
Systematic name  (5)：
  • アビエタ-6,8,11,13-テトラエン-18-酸メチル
  • 13-イソプロピルポドカルパ-6,8,11,13-テトラエン-18-酸メチル
  • 6,8,11,13-アビエタテトラエン-18-酸メチル
  • メチル (1R,4aS,10aR)-1,4a-ジメチル-7-(プロパン-2-イル)-1,2,3,4,4a,10a-ヘキサヒドロフェナントレン-1-カルボキシラート
  • methyl (1R,4aS,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,10a-hexahydrophenanthrene-1-carboxylate
Other name (5)：
  • Methyl 6-dehydroabietate
  • 6-デヒドロアビエチン酸メチル
  • Abieta-6,8,11,13-tetren-18-oic acid methyl ester
  • 13-Isopropylpodocarpa-6,8,11,13-tetrene-18-oic acid methyl ester
  • 6,8,11,13-Abietatetrene-18-oic acid methyl ester
CAS registry number： 18492-76-7
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