Methyl (3β,16β,17α,18β,20α)-18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxyyohimban-16-carboxylate

CAS Registry Number®

73573-42-9

CAS Name

Methyl (3β,16β,17α,18β,20α)-18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxyyohimban-16-carboxylate

Molecular Formula

C33H38N2O8

Molecular Mass

590.66

Cite this Page

Methyl (3β,16β,17α,18β,20α)-18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxyyohimban-16-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=73573-42-9 (retrieved 2024-12-04) (CAS RN: 73573-42-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    259-260 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1

InChIKey

InChIKey=MMUMZMIKZXSFSD-ADSVITMPSA-N

SMILES

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(/C=C/C6=CC(OC)=C(O)C=C6)=O)[C@@H]1OC)[H])[H])[H]

Canonical SMILES

O=C(OC1CC2CN3CCC=4C=5C=CC(OC)=CC5NC4C3CC2C(C(=O)OC)C1OC)C=CC6=CC=C(O)C(OC)=C6

Other Names for this Substance

  • Yohimban-16-carboxylic acid, 18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)-
  • Yohimban-16-carboxylic acid, 18-[[3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-11,17-dimethoxy-, methyl ester, [3β,16β,17α,18β(E),20α]-
  • Yohimban-16-carboxylic acid, 18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)-
  • Methyl (3β,16β,17α,18β,20α)-18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxyyohimban-16-carboxylate
  • WHO 4939

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