(3beta,19alpha,20alpha)-10,11-Dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylic acid
[CAS# 84824-88-4]

Identification

• Name: (3beta,19alpha,20alpha)-10,11-Dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylic acid
• Synonyms: (3β,19α,20α)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylic acid
• Molecular Formula: C₂₂H₂₆N₂O₅
• Molecular Weight: 398.45
• CAS Registry Number: 84824-88-4
• EINECS: 284-240-3
• SMILES: OC(=O)C2=CO[C@@H](C)[C@@H]1CN3CCc4c5cc(OC)c(OC)cc5nc4[C@H]3C[C@@H]12
• InChI: 1S/C22H26N2O5/c1-11-15-9-24-5-4-12-14-7-19(27-2)20(28-3)8-17(14)23-21(12)18(24)6-13(15)16(10-29-11)22(25)26/h7-8,10-11,13,15,18,23H,4-6,9H2,1-3H3,(H,25,26)/t11-,13-,15-,18+/m0/s1
• InChIKey: PNNGWBVPRZZLPW-MCTKYDIJSA-N

Properties

• Density: 1.379g/cm³ (Cal.)
• Boiling point: 595.163°C at 760 mmHg (Cal.)
• Flash point: 313.743°C (Cal.)