Chem
J-GLOBAL ID:200907033051673889   Nikkaji number:J1.816.541D

erythro-Canabisine H

erythro-カナビシンH
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: C28H31NO8
Molecular formula furigana: C28-H31-N-O8
Molecular weight: 509.555
InChI: InChI=1S/C28H31NO8/c1-35-24-16-20(7-10-22(24)32)28(34)26(17-30)37-23-11-5-19(15-25(23)36-2)6-12-27(33)29-14-13-18-3-8-21(31)9-4-18/h3-12,15-16,26,28,30-32,34H,13-14,17H2,1-2H3,(H,29,33)/b12-6+/t26-,28-/m0/s1
InChI key: PJAFJMNWVUKNOR-MGBVTPAKSA-N
SMILES: COc1cc(ccc1O)[C@H](O)[C@H](CO)Oc1ccc(/C=C/C(=O)NCCc2ccc(O)cc2)cc1OC
Systematic name  (3):
  • (E)-N-[2-(4-ヒドロキシフェニル)エチル]-3-[3-メトキシ-4-[(1S,2S)-1-(ヒドロキシメチル)-2-ヒドロキシ-2-(4-ヒドロキシ-3-メトキシフェニル)エトキシ]フェニル]プロペンアミド
  • (2E)-3-(4-{[(1S,2S)-1,3-ジヒドロキシ-1-(4-ヒドロキシ-3-メトキシフェニル)プロパン-2-イル]オキシ}-3-メトキシフェニル)-N-[2-(4-ヒドロキシフェニル)エチル]プロパ-2-エンアミド
  • (2E)-3-(4-{[(1S,2S)-1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide
Other name (3):
  • (E)-N-[2-(4-Hydroxyphenyl)ethyl]-3-[3-methoxy-4-[(1S,2S)-1-(hydroxymethyl)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethoxy]phenyl]propenamide
  • erythro-Canabisine H
  • erythro-カナビシンH
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