TPCN02407

Name Stachysperoxide
Molecular Formula C20H30O4
Molecular Weight 334.46
CAS Registry Number 1454655-87-8
SMILES CC1=CCOOC1CC1(C)C(C)C(O)CC2(C)C(C)=CC(=O)CC21
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Stachys aegyptiaca Aerial parts 0.001625% Nat Prod Res 28, 30-34 (2014). 10.1080/14786419.2013.830217
Properties
HBA 4 HBD 1
HeavyAtoms 24 AlogP 3.60
TPSA 55.76 RotatableBonds 2
FractionCSP3 0.75 Rings 3
AromaticRings 0 AliphaticRings 3