Description
Jatrophane 6 is a natural diterpenoid compound found in several plants.
Synonyms
[(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,9,11,13-pentaacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
IUPAC Name
[(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,9,11,13-pentaacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Molecular Formula
C37H48O14
Canonical SMILES
CC1C=CC(C(C(C(C(=C)C(C2C(C(CC2(C1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C)O)OC(=O)C)(C)C
InChI
InChI=1S/C37H48O14/c1-19-16-17-35(8,9)33(49-24(6)41)28(43)30(47-22(4)39)20(2)29(46-21(3)38)27-32(50-34(44)26-14-12-11-13-15-26)36(10,51-25(7)42)18-37(27,45)31(19)48-23(5)40/h11-17,19,27-33,43,45H,2,18H2,1,3-10H3/b17-16+/t19-,27-,28+,29-,30-,31-,32+,33+,36+,37+/m0/s1
InChIKey
FPNGPBYYMDKBKJ-OHGSERNNSA-N