Chem
J-GLOBAL ID:201307051441664296   Nikkaji number:J3.179.076J

(+)-Reserpine

(+)-レセルピン
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: C33H40N2O9
Molecular formula furigana: C33-H40-N2-O9
Molecular weight: 608.688
InChI: InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m0/s1
InChI key: QEVHRUUCFGRFIF-KWTXYEQSSA-N
SMILES: CO[C@@H]1[C@H](C[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]2[C@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1
Systematic name  (3):
  • (3α,15β,20β)-11,17β-ジメトキシ-18α-[(3,4,5-トリメトキシベンゾイル)オキシ]ヨヒンバン-16α-カルボン酸メチル
  • メチル (1S,15R,17S,18S,19R,20R)-6,18-ジメトキシ-17-(3,4,5-トリメトキシベンゾイルオキシ)-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン-19-カルボキシラート
  • methyl (1S,15R,17S,18S,19R,20R)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyloxy)-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Other name (3):
  • (3α,15β,20β)-11,17β-Dimethoxy-18α-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16α-carboxylic acid methyl ester
  • (+)-レセルピン
  • (+)-Reserpine
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