TPCN03215

Name Calcaratarin A;Calcaratin A
Molecular Formula C22H36O3
Molecular Weight 348.53
CAS Registry Number 284022-04-4
SMILES C=C1CCC2C(C)(C)CCCC2(C)C1CC=C(C=O)CC(OC)OC
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Zingiberaceae Alpinia pahangensis Subterraneous stems 0.000200% Planta Med 2013; 79: 1775–1780 10.1055/s-0033-1351075
Zingiberaceae Curcuma mangga Subterraneous stems 0.000020% J Nat Prod 68, 1090-1093 (2005). 10.1021/np0500171
Properties
HBA 3 HBD 0
HeavyAtoms 25 AlogP 5.31
TPSA 35.53 RotatableBonds 7
FractionCSP3 0.77 Rings 2
AromaticRings 0 AliphaticRings 2