TPCN02373

Name 4beta-hydroxy-6-oxo-19-norgrindelic acid
Molecular Formula C20H30O5
Molecular Weight 350.46
CAS Registry Number 261174-12-3
SMILES COC(=O)CC1(C)CCC2(O1)C(C)=CC(=O)C1C(C)(O)CCCC12C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Grindelia nana Aerial parts 0.002000% J Nat Prod 63, 378-380 (2000). 10.1021/np9904105
Properties
HBA 5 HBD 1
HeavyAtoms 25 AlogP 2.94
TPSA 72.83 RotatableBonds 2
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3