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Substance Name: Isoreserpine
RN: 482-85-9
InChIKey: QEVHRUUCFGRFIF-VPHNHGCZSA-N

Molecular Formula

  • C33-H40-N2-O9

Molecular Weight

  • 608.684
 
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Names and Synonyms

Results Name

  • Isoreserpine

Synonyms

  • 3-Epireserpine
  • 3-Isoreserpine
  • Isoreserpin
  • Isoreserpine
  • NSC 80138

Systematic Names

  • 20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) (8CI)
  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (16beta,17alpha,18beta,20alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 482-85-9

System Generated Number

  • 0000482859

Structure Descriptors

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+/m1/s1

InChIKey

QEVHRUUCFGRFIF-VPHNHGCZSA-N

Smiles

COc1ccc2c(c1)[nH]c3c2CCN4[C@H]3C[C@H]5[C@@H](C4)C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC