Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-

CAS Registry Number®

865-04-3

CAS Name

Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-

Molecular Formula

C33H40N2O9

Molecular Mass

608.68

Cite this Page

Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=865-04-3 (retrieved 2024-11-22) (CAS RN: 865-04-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    171 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,21+,24-,27-,28+,31+/m1/s1

InChIKey

InChIKey=ULBNWNUHGJLQHO-VKMIBBQISA-N

SMILES

C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C=5C(N4)=CC=C(OC)C5)CCN3C[C@]2(C[C@@H](OC(=O)C6=CC(OC)=C(OC)C(OC)=C6)[C@@H]1OC)[H])[H])[H]

Canonical SMILES

O=C(OC1CC2CN3CCC=4C=5C=C(OC)C=CC5NC4C3CC2C(C(=O)OC)C1OC)C6=CC(OC)=C(OC)C(OC)=C6

Other Names for this Substance

  • Yohimban-16-carboxylic acid, 10,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-
  • 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-10,17α-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
  • Deserpidine, 10-methoxy-
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • Deaserpyl

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Deleted or Replaced CAS Registry Numbers

794517-86-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration