TPCN01190

Name 1beta,6alpha-dihydroxycostic acid ethyl ester
Molecular Formula C17H26O4
Molecular Weight 294.39
CAS Registry Number 612500-38-6
SMILES C=C(C(=O)OCC)C1CCC2(C)C(O)CCC(=C)C2C1O
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Saussurea lappa Roots 0.001500% J Nat Prod 66(9): 1175-1180.(2003) 10.1021/np030147e
Properties
HBA 4 HBD 2
HeavyAtoms 21 AlogP 2.21
TPSA 66.76 RotatableBonds 3
FractionCSP3 0.71 Rings 2
AromaticRings 0 AliphaticRings 2