TPCN03113

Name 7beta,16beta,17-trihydroxy-ent-kauran-6alpha,19-olide
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 90364-72-0
SMILES CC12CCCC3(C)C1C(OC2=O)C(O)C12CC(CCC31)C(O)(CO)C2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Convolvulaceae Pharbitis nil Seeds 0.000060% J Nat Prod 72, 1121-1127 (2009). 10.1021/np900101t
Properties
HBA 5 HBD 3
HeavyAtoms 25 AlogP 1.63
TPSA 86.99 RotatableBonds 1
FractionCSP3 0.95 Rings 5
AromaticRings 0 AliphaticRings 5