TPCN03281

Name (E)-14,15,16-trinorlabda-8(17),11-dien-13-one;Zerumin A
Molecular Formula C20H30O3
Molecular Weight 318.46
CAS Registry Number 176050-48-9
SMILES C=C1CCC2C(C)(C)CCCC2(C)C1CC=C(C=O)CC(=O)O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Zingiberaceae Alpinia pahangensis Subterraneous stems 0.007020% Planta Med 2013; 79: 1775–1780 10.1055/s-0033-1351075
Zingiberaceae Alpinia pahangensis Subterraneous stems 0.002530% Planta Med 2013; 79: 1775–1780 10.1055/s-0033-1351075
Properties
HBA 3 HBD 1
HeavyAtoms 23 AlogP 4.78
TPSA 54.37 RotatableBonds 5
FractionCSP3 0.70 Rings 2
AromaticRings 0 AliphaticRings 2