Description
Secaubrytriol is a natural compound isolated from the fruits of Gardenia sootepensis.
Synonyms
1H-Cyclopenta[a]cyclopropa[e]naphthalene-3a(4H)-propanoic acid, 7-[(1R,4R)-4,5-dihydroxy-1,5-dimethylhexyl]decahydro-3-[1-(hydroxymethyl)ethenyl]-6a,9a-dimethyl-, (3R,3aR,4aS,6aR,7R,9aS,9bS)-
Molecular Formula
C30H50O5
Canonical SMILES
CC(CCC(C(C)(C)O)O)C1CCC2(C1(CCC34C2CCC(C3(C4)CCC(=O)O)C(=C)CO)C)C
InChI
InChI=1S/C30H50O5/c1-19(7-10-24(32)26(3,4)35)21-11-13-28(6)23-9-8-22(20(2)17-31)29(14-12-25(33)34)18-30(23,29)16-15-27(21,28)5/h19,21-24,31-32,35H,2,7-18H2,1,3-6H3,(H,33,34)/t19-,21-,22+,23+,24-,27-,28+,29-,30+/m1/s1
InChIKey
NFSDEMPRAKPPFK-HIGWZERASA-N
Boiling Point
637.5±30.0 °C(Predicted)
Density
1.14±0.1 g/cm3(Predicted)