TPCN01471

Name Sosmarcandin
Molecular Formula C29H38O6
Molecular Weight 482.62
CAS Registry Number 128443-59-4
SMILES CC=C(C)C(=O)OC1CCC2(C)C(COc3ccc4ccc(=O)oc4c3)C(C)(O)CCC2C1(C)C
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Ferula tunetana Roots 0.000407% Chem Biodivers 7(2): 392-399.(2010) 10.1002/cbdv.200900025
Properties
HBA 6 HBD 1
HeavyAtoms 35 AlogP 5.65
TPSA 85.97 RotatableBonds 5
FractionCSP3 0.59 Rings 4
AromaticRings 2 AliphaticRings 2