TPCN02599

Name Circinasine C
Molecular Formula C31H43NO9
Molecular Weight 573.68
CAS Registry Number 939972-77-7
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6(O)C(OC(=O)c7ccc(OC)cc7)CC(O)(C(CC23O)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Roots 0.000575% J Nat Prod 70, 876-879 (2007). 10.1021/np0700117
Properties
HBA 10 HBD 4
HeavyAtoms 41 AlogP 0.98
TPSA 138.15 RotatableBonds 7
FractionCSP3 0.77 Rings 7
AromaticRings 1 AliphaticRings 6