Description
Jatrophane 4 comes from the branches of Jatropha carcas L.
Synonyms
2,5,9,14-Tetraacetoxy-3-benzoyloxy-8,15-dihydroxy-7-isobutyroyloxyjatropha-6(17),11E-diene
IUPAC Name
[(1R,2R,3aR,4S,5S,6E,9S,10S,11S,13R,13aS)-2,4,9,13-tetraacetyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropanoyloxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
Molecular Formula
C39H52O14
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(C)C)O)OC(=O)C)(C)C
InChI
InChI=1S/C39H52O14/c1-20(2)35(45)51-31-22(4)30(48-23(5)40)28-33(52-36(46)27-15-13-12-14-16-27)38(11,53-26(8)43)19-39(28,47)32(49-24(6)41)21(3)17-18-37(9,10)34(29(31)44)50-25(7)42/h12-18,20-21,28-34,44,47H,4,19H2,1-3,5-11H3/b18-17+/t21-,28-,29+,30-,31-,32-,33+,34+,38+,39+/m0/s1
InChIKey
WITHKWWZWFNDND-WZUBBBPASA-N