TPCN02612

Name Ent-2??,18,19-trihydroxycleroda-3,13-dien-16,15-olide
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 1696412-94-8
SMILES CC1CCC2(CO)C(CO)=CC(O)CC2C1(C)CCC1=CCOC1=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Crassocephalum bauchiense Aerial parts 0.000533% Nat Prod Res 29, 1990-1994 (2015). 10.1080/14786419.2015.1022541
Properties
HBA 5 HBD 3
HeavyAtoms 25 AlogP 1.96
TPSA 86.99 RotatableBonds 5
FractionCSP3 0.75 Rings 3
AromaticRings 0 AliphaticRings 3