Description
Metasequoic acid A is a natural compound found in several plants.
Synonyms
(E)-5-((1aR,3aR,4S,7aS,7bS)-3a,7b-dimethyl-5-methylenedecahydro-1H-cyclopropa[a]naphthalen-4-yl)-3-methylpent-2-enoic acid
IUPAC Name
(E)-5-[(1aR,3aR,4S,7aS,7bS)-3a,7b-dimethyl-5-methylidene-1,1a,2,3,4,6,7,7a-octahydrocyclopropa[a]naphthalen-4-yl]-3-methylpent-2-enoic acid
Molecular Formula
C20H30O2
Canonical SMILES
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC3C2(C3)C)C
InChI
InChI=1S/C20H30O2/c1-13(11-18(21)22)5-7-16-14(2)6-8-17-19(16,3)10-9-15-12-20(15,17)4/h11,15-17H,2,5-10,12H2,1,3-4H3,(H,21,22)/b13-11+/t15-,16+,17-,19-,20+/m1/s1
InChIKey
PCLDEDSUWNZZDJ-BDBJVFIPSA-N
Boiling Point
421.3±14.0 °C(Predicted)
Density
1.05±0.1 g/cm3(Predicted)