Molecular properties
- Formula
- C21H26N2O3
- Molar mass
- 354.45 g·mol−1
- Exact mass
- 354.1943 Da
- 10
- PubChem CID
- 8969
Molecule record
methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
C21H26N2O3
354.45 g/mol
Loading structure
Functional groups
Alcohol
Alkane / alkyl carbon
Aromatic ring
Ester
Ether
Tertiary amine
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- (+)-Yohimbine
- (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester
- 146-48-5
- 17-Hydroxyyohimban-16-carboxylic acid methyl ester
- 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester
- 205-672-0
- 2Y49VWD90Q
- APHRODINE
Show all 24 synonyms
- Aphrosol
- CHEBI:10093
- Corynine
- DTXCID7020130
- DTXSID9040130
- Johimbin
- MFCD00005093
- Quebrachin
- Quebrachine
- RefChem:56477
- Tartrate, Corynanthine
- Yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16alpha,17alpha)-
- Yohimbic acid methyl ester
- Yohimbin
- Yohimbine
- Yohimbinum
Structure identifiers
- Canonical SMILES
- COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O
- Isomeric SMILES
- COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
- InChI
- InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
- InChIKey
- BLGXFZZNTVWLAY-SCYLSFHTSA-N
- PubChem CID
- 8969
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.