TPCN03105

Name Salvialeriicone
Molecular Formula C40H50O6
Molecular Weight 626.83
CAS Registry Number 1860825-91-7
SMILES CC(C)C1=CC2=C3C4=C(C(C)C)C(=O)C(O)=C5C4=C(OC3C3C(C)(C)CCCC3(C)C2=C(O)C1=O)C(=O)C1C(C)(C)CCCC51C
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Salvia leriifolia Whole plants 0.000063% Nat Prod Res 30, 1511-1516 (2016). 10.1080/14786419.2015.1115997
Properties
HBA 6 HBD 2
HeavyAtoms 46 AlogP 8.52
TPSA 100.90 RotatableBonds 2
FractionCSP3 0.63 Rings 7
AromaticRings 0 AliphaticRings 7