Chem
J-GLOBAL ID：200907011290790885   Nikkaji number：J966.820I

(5β,8α,9β,10α,12α)-Atisa-16-ene-19-oic acid methyl ester

(5β,8α,9β,10α,12α)-アチサ-16-エン-19-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/c1-14-13-21-10-6-15(14)12-17(21)19(2)8-5-9-20(3,18(22)23-4)16(19)7-11-21/h15-17H,1,5-13H2,2-4H3/t15-,16-,17-,19+,20-,21+/m0/s1
InChI key： BJAYKFMSRRFYLE-LANMLWSUSA-N
SMILES： COC(=O)[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC[C@@H](C[C@@H]21)C(=C)C3
Systematic name  (3)：
  • (5β,8α,9β,10α,12α)-アチサ-16-エン-19-酸メチル
  • メチル (1R,4S,5S,9S,10R,12S)-5,9-ジメチル-13-メチリデンテトラシクロ[10.2.2.01,10.04,9]ヘキサデカン-5-カルボキシラート
  • methyl (1R,4S,5S,9S,10R,12S)-5,9-dimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
Other name (1)：
  • (5β,8α,9β,10α,12α)-Atisa-16-ene-19-oic acid methyl ester
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