TPCN01960

Name 12-oxo-11-nordrim-8-en-14-oic acid
Molecular Formula C14H20O3
Molecular Weight 236.31
CAS Registry Number 301652-12-0
SMILES CC12C=C(C=O)CCC1C(C)(C(=O)O)CCC2
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Cupressaceae Thuja standishii Barks 0.000038% J Nat Prod 63(10): 1381-1383.(2000) 10.1021/np000025b
Properties
HBA 3 HBD 1
HeavyAtoms 17 AlogP 2.80
TPSA 54.37 RotatableBonds 2
FractionCSP3 0.71 Rings 2
AromaticRings 0 AliphaticRings 2