TPCN01842

Name 3??,8??-dihydroxy-guaia-10(14)-en-1??,4??,5??,6??,7??,11??H?12, 6??-olide
Molecular Formula C15H22O4
Molecular Weight 266.34
CAS Registry Number 1352840-33-5
SMILES C=C1CC(O)C2C(C)C(=O)OC2C2C1CC(O)C2C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Apiaceae Ixeris dentata Whole plants 0.000083% Planta Med 77(4): 380-382.(2011) 10.1055/s-0030-1250369
Properties
HBA 4 HBD 2
HeavyAtoms 19 AlogP 1.12
TPSA 66.76 RotatableBonds 0
FractionCSP3 0.80 Rings 3
AromaticRings 0 AliphaticRings 3