TPCN03064

Name Puberumines D
Molecular Formula C23H35NO7
Molecular Weight 437.53
CAS Registry Number 1379670-79-7
SMILES CCN1CC2(O)C=CC(O)C34C5CC6C(OC)CC(O)(C5C6OC)C(O)(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum barbatum Roots 0.000080% Org Lett 14, 2758-2761 (2012). 10.1021/ol3008217
Properties
HBA 8 HBD 4
HeavyAtoms 31 AlogP -0.85
TPSA 111.85 RotatableBonds 4
FractionCSP3 0.91 Rings 6
AromaticRings 0 AliphaticRings 6