TPCN03496

Name Xerophilsin H
Molecular Formula C21H30O6
Molecular Weight 378.47
CAS Registry Number 2756375-10-5
SMILES COCC1C(=O)C23C(O)C1CCC2C12CCCC(C)(C)C1C(=O)C3(O)C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon xerophilus Aerial parts 0.000015% None 10.1021/acs.jnatprod.0c00983
Properties
HBA 6 HBD 3
HeavyAtoms 27 AlogP 0.71
TPSA 104.06 RotatableBonds 2
FractionCSP3 0.90 Rings 5
AromaticRings 0 AliphaticRings 5