Chem
J-GLOBAL ID：200907036289695553   Nikkaji number：J1.658.003A

Myricanene A

ミリカネンA
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： C21H24O4
Molecular formula furigana： C21-H24-O4
Molecular weight： 340.419
InChI： InChI=1S/C21H24O4/c1-24-20-17-13-15(19(23)21(20)25-2)9-7-5-3-4-6-8-14-10-11-18(22)16(17)12-14/h3-4,10-13,22-23H,5-9H2,1-2H3
InChI key： DERKWAJDBPHDET-UHFFFAOYSA-N
SMILES： COc1c(O)c2CCCC=CCCc3ccc(O)c(c3)c(c2)c1OC
Systematic name  (3)：
  • 16,17-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(18),2,4,6(19),9,14,16-ヘプタエン-3,15-ジオール
  • 16,17-ジメトキシトリシクロ[12.3.1.12,6]ノナデカ-1(17),2(19),3,5,9,14(18),15-ヘプタエン-3,15-ジオール
  • 16,17-dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2(19),3,5,9,14(18),15-heptaene-3,15-diol
Other name (3)：
  • 16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2,4,6(19),9,14,16-heptene-3,15-diol
  • ミリカネンA
  • Myricanene A
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