TPCN00516

Name Reserpine
Molecular Formula C33H40N2O9
Molecular Weight 608.69
CAS Registry Number 50-55-5
SMILES COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC
Classify Monoterpenoids
Content
Family Species Part Content (%) Reference DOI
Paeoniaceae Rauvolfia yunnanensis Whole plants 0.000176% Molecules, 2019, 24. 10.3390/molecules24244574
Properties
HBA 11 HBD 1
HeavyAtoms 44 AlogP 4.17
TPSA 117.78 RotatableBonds 8
FractionCSP3 0.52 Rings 6
AromaticRings 3 AliphaticRings 3