TPCN02764

Name Circinadines B
Molecular Formula C24H39NO7
Molecular Weight 453.58
CAS Registry Number 886438-48-8
SMILES CCN1CC2(COC)C(O)CC(OC)C34C5CC6(O)C(OC)CC(O)(C(CC23)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000300% Chem Pharm Bull (Tokyo) 54, 117-118 (2006). 10.1248/cpb.54.117
Properties
HBA 8 HBD 4
HeavyAtoms 32 AlogP -0.38
TPSA 111.85 RotatableBonds 5
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6