TPCN02661

Name 15-acetyldemethylkamebacetal A
Molecular Formula C22H32O6
Molecular Weight 392.49
CAS Registry Number 1820793-65-4
SMILES C=C1C2CCC3C(C4CC5C(C)(C)CCC(O)C53C(O)O4)(C1OC(C)=O)C2O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Lamiaceae Isodon inflexus Aerial parts 0.000433% Nat Prod Res 30, 995-1000 (2016). 10.1080/14786419.2015.1094803
Properties
HBA 6 HBD 3
HeavyAtoms 28 AlogP 1.77
TPSA 96.22 RotatableBonds 1
FractionCSP3 0.86 Rings 6
AromaticRings 0 AliphaticRings 6