Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-
CAS Registry Number®
5057-80-7
CAS Name
Yohimban-16-carboxylic acid, 17-hydroxy-1-methyl-, methyl ester, monohydriodide, (16α,17α)-Molecular Formula
C22H28N2O3.HICite 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 ) (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.
