TPCN02327

Name Chasmanine
Molecular Formula C25H41NO6
Molecular Weight 451.60
CAS Registry Number 5066-78-4
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C5C6O)C(C(OC)C23)C14
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum carmichaeli Roots 0.002556% Molecules 17, 5187-5194 (2012). 10.3390/molecules17055187
Ranunculaceae Aconitum hemsleyanum Roots 0.001680% Chem Pharm Bull (Tokyo) 51, 592-594 (2003). 10.1248/cpb.51.592
Ranunculaceae Aconitum duclouxii Roots 0.000015% Nat Prod Res 28, 1649-1654 (2014). 10.1080/14786419.2014.927463
Properties
HBA 7 HBD 2
HeavyAtoms 32 AlogP 1.16
TPSA 80.62 RotatableBonds 6
FractionCSP3 1.00 Rings 6
AromaticRings 0 AliphaticRings 6