Basic information
- CAS
63989-78-6- Standard SMILES
COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.O=C(O)C(O)C(O)C(=O)O- InChIKey
HMEXTTWSBUBIOL-UHFFFAOYSA-N- Molecular formula
- C25H32N2O9
- Average molar mass
- 504.5 g/mol
- Monoisotopic mass
- 504.2107806
Names & identifiers
- Preferred name
- 2,3-Dihydroxybutanedioic acid--methyl 17-hydroxyyohimban-16-carboxylate (1/1)
- IUPAC
- 2,3-dihydroxybutanedioic acid;methyl 18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Names & synonyms
DTXSID90981713NSC2742782,3-Dihydroxybutanedioic acid--methyl 17-hydroxyyohimban-16-carboxylate (1/1)Yohimban-16-carboxylic acid, methyl ester, (16.beta.,17.alpha.)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (1:1) (salt)
Database identifiers
- CAS
63989-78-6- PubChem CID
- 321676
- DTXSID
DTXSID90981713
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…