Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-, phosphate

CAS Registry Number®

1263-94-1

CAS Name

Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-, phosphate

Molecular Formula

C33H40N2O9.xH3O4P

Cite this Page

Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-, phosphate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1263-94-1 (retrieved 2024-11-22) (CAS RN: 1263-94-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H40N2O9.H3O4P/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;1-5(2,3)4/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3;(H3,1,2,3,4)/t18-,22+,24-,27-,28+,31+;/m1./s1

InChIKey

InChIKey=DDFUAKBZKZESMV-BQTSRIDJSA-N

SMILES

P(=O)(O)(O)O.C(OC)(=O)[C@H]1[C@]2(C[C@@]3(C4=C(C=5C(N4)=CC(OC)=CC5)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=CC(OC)=CC5NC4C3CC2C(C(=O)OC)C1OC)C6=CC(OC)=C(OC)C(OC)=C6.O=P(O)(O)O

Other Names for this Substance

  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3β,16β,17α,18β,20α)-, phosphate
  • 3β,20α-Yohimban-16β-carboxylic acid, 18β-hydroxy-11,17α-dimethoxy-methyl ester 3,4,5-trimethoxybenzoate (ester), phosphate
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.
  • Reserpine phosphate

Deleted or Replaced CAS Registry Numbers

1184-00-5, 1184-01-6

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