Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-

CAS Registry Number®

5057-80-7
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CAS Name

Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-

Molecular Formula

C22H28N2O3.HI

Cite this Page

Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5057-80-7 (retrieved 2024-07-08) (CAS RN: 5057-80-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H28N2O3.HI/c1-23-17-6-4-3-5-14(17)15-9-10-24-12-13-7-8-19(25)20(22(26)27-2)16(13)11-18(24)21(15)23;/h3-6,13,16,18-20,25H,7-12H2,1-2H3;1H/t13-,16-,18-,19-,20+;/m0./s1

InChIKey

InChIKey=WJMMXLIYALYDFB-HXBJQTCSSA-N

SMILES

CN1C=2[C@]3(N(C[C@]4([C@](C3)([C@@H](C(OC)=O)[C@@H](O)CC4)[H])[H])CCC2C=5C1=CC=CC5)[H].I

Canonical SMILES

I.O=C(OC)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5N(C4C3CC12)C

Other Names for this Substance

  • Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-
  • Benz[g]indolo[2,3-a]quinolizine, yohimban-16-carboxylic acid deriv.