TPCN02375

Name Octanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester
Molecular Formula C30H44O8
Molecular Weight 532.67
CAS Registry Number 72416-83-2
SMILES CCCCCCCC(=O)OC1C(C)C2(O)C(C=C(CO)CC3(O)C(=O)C(C)=CC32)C2C(C)(C)C12OC(C)=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Thymelaeaceae Pimelea elongata Leaves 0.002000% J Nat Prod 73, 1907-1913 (2010). 10.1021/np1005746
Properties
HBA 8 HBD 3
HeavyAtoms 38 AlogP 3.41
TPSA 130.36 RotatableBonds 9
FractionCSP3 0.77 Rings 4
AromaticRings 0 AliphaticRings 4