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Substance Name: Raunescine monoacetate
RN: 707532-96-5
UNII: 5Q925963VO
InChIKey: IUIVUEFITUOWNB-BKUYHZRHSA-N

Molecular Formula

  • C33-H38-N2-O9

Molecular Weight

  • 606.6682
 
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Names and Synonyms

Name of Substance

  • Raunescine monoacetate

Synonyms

  • Raunescine monoacetate
  • UNII-5Q925963VO
  • Yohimban-16-carboxylic acid, 17-(acetyloxy)-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-

Registry Numbers

CAS Registry Number

  • 707532-96-5

FDA UNII

  • 5Q925963VO

System Generated Number

  • 0707532965

Structure Descriptors

InChI

1S/C33H38N2O9/c1-17(36)43-31-27(44-32(37)18-12-25(39-2)30(41-4)26(13-18)40-3)14-19-16-35-11-10-21-20-8-6-7-9-23(20)34-29(21)24(35)15-22(19)28(31)33(38)42-5/h6-9,12-13,19,22,24,27-28,31,34H,10-11,14-16H2,1-5H3/t19-,22+,24-,27-,28+,31+/m1/s1

InChIKey

IUIVUEFITUOWNB-BKUYHZRHSA-N

Smiles

CC(=O)O[C@H]1[C@@H](C[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(c(c(c6)OC)OC)OC