TPCN01205

Name Desacetyl-neurolenin G
Molecular Formula C19H26O7
Molecular Weight 366.41
CAS Registry Number 243127-81-3
SMILES C=C1C(=O)OC2CC(C)C=CC(=O)C(C)(O)C(O)C(OC(=O)C(C)C)C12
Classify Sesquiterpenoids
Content
Family Species Part Content (%) Reference DOI
Asteraceae Neurolaena oaxacana Leaves 0.001333% J Nat Prod 62(8): 1093-1095.(1999) 10.1021/np990038t
Properties
HBA 7 HBD 2
HeavyAtoms 26 AlogP 0.93
TPSA 110.13 RotatableBonds 2
FractionCSP3 0.63 Rings 2
AromaticRings 0 AliphaticRings 2