Description
8(17),13-Labdadien-15,16-olide is a natural diterpenoid isolated from the rhizoma of Alpinia chinensis.
Synonyms
4-{2-[(1S,4aS,8aS)-5,5,8a-Trimethyl-2-methylenedecahydro-1-naphth alenyl]ethyl}-2(5H)-furanone
IUPAC Name
3-[2-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
Molecular Formula
C20H30O2
Canonical SMILES
CC1(CCCC2(C1CCC(=C)C2CCC3=CC(=O)OC3)C)C
InChI
InChI=1S/C20H30O2/c1-14-6-9-17-19(2,3)10-5-11-20(17,4)16(14)8-7-15-12-18(21)22-13-15/h12,16-17H,1,5-11,13H2,2-4H3/t16-,17-,20+/m0/s1
InChIKey
RUXYUBRFOACSMM-ABSDTBQOSA-N
Boiling Point
423.3±14.0 °C(Predicted)
Melting Point
76-78 °C(Solv: hexane (110-54-3))
Density
1.02±0.1 g/cm3(Predicted)