TPCN01013

Name 1??,8??-Dihydroxy eudesman 4(15),7(11)-dien 8??,12 olide
Molecular Formula C15H20O4
Molecular Weight 264.32
CAS Registry Number 366494-93-1
SMILES C=C1CCC(O)C2(C)CC3(O)OC(=O)C(C)=C3CC12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Smyrnium olusatrum Fruits 0.004000% Phytochemistry 57(8): 1197-1200.(2001) 10.1016/s0031-9422(01)00211-4
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.68
TPSA 66.76 RotatableBonds 0
FractionCSP3 0.67 Rings 3
AromaticRings 0 AliphaticRings 3