TPCN02352

Name 18-hydroxy-6-oxogrindelic acid
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 261162-47-4
SMILES CC1=CC(=O)C2C(C)(CO)CCCC2(C)C12CCC(C)(CC(=O)O)O2
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Grindelia nana Aerial parts 0.002250% J Nat Prod 63, 378-380 (2000). 10.1021/np9904105
Properties
HBA 5 HBD 2
HeavyAtoms 25 AlogP 3.10
TPSA 83.83 RotatableBonds 3
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3