Reserpine

CAS	50-55-5
Structure
Synonyms	Benazyl
IUPAC Name	Methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular Weight	608.69
Molecular Formula	C33H40N2O9
Canonical SMILES	COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC
InChI	InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
InChI Key	QEVHRUUCFGRFIF-MDEJGZGSSA-N
Boiling Point	655.12 °C
Melting Point	265 °C
Flash Point	22 °C
Purity	98%+
Density	1.2336 g/cm³
Refractive Index	177 ° (C=1, DMF)
pKa	6.6(at 25 °C)
Solubility in Water	Soluble
Appearance	Solid