TPCN02952

Name Aconitramine E
Molecular Formula C32H45NO7
Molecular Weight 555.71
CAS Registry Number 1419694-25-9
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(OC(=O)c7ccc(OC)cc7)(C(CC23)C14)C5C6O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum transsectum Roots 0.000146% J Asian Nat Prod Res 14, 244-248 (2012). 10.1080/10286020.2011.648623
Properties
HBA 8 HBD 1
HeavyAtoms 40 AlogP 3.40
TPSA 86.69 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6