TPCN02657

Name Fritillahupehin
Molecular Formula C44H80O2
Molecular Weight 641.12
CAS Registry Number 475109-40-1
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC1(C)CC23CCC4C(C)(C)CCCC4(C)C2CCC1C3
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Liliaceae Fritillaria hupehensis Subterraneous stems 0.000442% Fitoterapia 73, 288-291 (2002). 10.1016/s0367-326x(02)00085-0
Properties
HBA 2 HBD 0
HeavyAtoms 46 AlogP 14.32
TPSA 26.30 RotatableBonds 23
FractionCSP3 0.98 Rings 4
AromaticRings 0 AliphaticRings 4