Chem
J-GLOBAL ID：200907009598188286   Nikkaji number：J991.030A

Asperopterocarpin

アスペロプテロカルピン
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： C21H22O4
Molecular formula furigana： C21-H22-O4
Molecular weight： 338.403
InChI： InChI=1S/C21H22O4/c1-12(2)4-5-13-8-18(23-3)20-19(9-13)24-11-16-15-7-6-14(22)10-17(15)25-21(16)20/h4,6-10,16,21-22H,5,11H2,1-3H3/t16-,21+/m0/s1
InChI key： HMFBSGUOAKNKHV-HRAATJIYSA-N
SMILES： COc1cc(CC=C(C)C)cc2OC[C@@H]3[C@@H](Oc4cc(O)ccc34)c12
Systematic name  (3)：
  • (6aR)-1-メトキシ-3-(3-メチル-2-ブテニル)-6aα,11aα-ジヒドロ-6H-ベンゾフロ[3,2-c][1]ベンゾピラン-9-オール
  • (1R,10R)-3-メトキシ-5-(3-メチルブタ-2-エン-1-イル)-8,17-ジオキサテトラシクロ[8.7.0.02,7.011,16]ヘプタデカ-2(7),3,5,11,13,15-ヘキサエン-14-オール
  • (1R,10R)-3-methoxy-5-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol
Other name (3)：
  • (6aR)-1-Methoxy-3-(3-methyl-2-butenyl)-6aα,11aα-dihydro-6H-benzofuro[3,2-c][1]benzopyran-9-ol
  • アスペロプテロカルピン
  • Asperopterocarpin
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