Chem
J-GLOBAL ID：200907073237161995   Nikkaji number：J607.235F

Cristacarpin

クリスタカルピン
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： C21H22O5
Molecular formula furigana： C21-H22-O5
Molecular weight： 354.402
InChI： InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
InChI key： ZHPYEBFYLDGZKF-LEWJYISDSA-N
SMILES： COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
Systematic name  (3)：
  • (6aS)-10-(3-メチル-2-ブテニル)-9-メトキシ-6H-ベンゾフロ[3,2-c][1]ベンゾピラン-3,6aα(11aαH)-ジオール
  • (1S,10S)-14-メトキシ-15-(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-2,4,6,11,13,15-ヘキサエン-5,10-ジオール
  • (1S,10S)-14-methoxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene-5,10-diol
Other name (3)：
  • クリスタカルピン
  • Cristacarpin
  • (6aS)-10-(3-Methyl-2-butenyl)-9-methoxy-6H-benzofuro[3,2-c][1]benzopyran-3,6aα(11aαH)-diol
CAS registry number： 74515-47-2
KEGG COMPOUND： C10206
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