Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)-
CAS Registry Number®
207801-27-2
CAS Name
Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)-Molecular Formula
C20H24N2O3.H2OCite this Page
Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=207801-27-2 (retrieved ) (CAS RN: 207801-27-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C20H24N2O3.H2O/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25;/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25);1H2/t11-,14-,16-,17-,18+;/m0./s1
InChIKey
InChIKey=UXXCUDYYOMDFPX-GPRFVYSASA-N
SMILES
C(O)(=O)[C@@H]1[C@]2(C[C@]3(C4=C(C=5C(N4)=CC=CC5)CCN3C[C@@]2(CC[C@@H]1O)[H])[H])[H].O
Canonical SMILES
O=C(O)C1C(O)CCC2CN3CCC=4C=5C=CC=CC5NC4C3CC12.O
Other Names for this Substance
- Yohimban-16-carboxylic acid, 17-hydroxy-, hydrate (1:1), (16α,17α)-
- Yohimban-16-carboxylic acid, 17-hydroxy-, monohydrate, (16α,17α)-
