Chem
J-GLOBAL ID：200907088790664269   Nikkaji number：J113.336E

(1R)-7β-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1α-phenanthrenecarboxylic acid methyl ester

8,15-ピマラジエン-18-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/h6,17H,1,7-14H2,2-5H3/t17-,19-,20-,21-/m1/s1
InChI key： GTFNGUBYWRFHMR-CWJKEVGVSA-N
SMILES： COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CCC1=C2CC[C@](C)(C1)C=C
Systematic name  (4)：
  • 8,15-ピマラジエン-18-酸メチル
  • (1R)-7β-エテニル-1,2,3,4,4a,5,6,7,8,9,10,10aα-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,4aS,7R,10aR)-7-エテニル-1,4a,7-トリメチル-1,2,3,4,4a,5,6,7,8,9,10,10a-ドデカヒドロフェナントレン-1-カルボキシラート
  • methyl (1R,4aS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrophenanthrene-1-carboxylate
Other name (1)：
  • (1R)-7β-Ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1α-phenanthrenecarboxylic acid methyl ester
CAS registry number： 3582-26-1
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