GCIS
GlobalChemical Inventory Search
kadsuphilolE
CAS Number: 936620-27-8
IUPAC name: [(1S,12R,13S,14S,15S)-14-hydroxy-18,19-dimethoxy-13,14-dimethyl-12-[(Z)-2-methylbut-2-enoyl]oxy-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-15-yl] benzoate
Molecular formula: C34H34O11
Molecular weight: 618.6
InChI: InChI=1S/C34H34O11/c1-7-17(2)31(36)44-25-18(3)33(4,38)30(45-32(37)19-11-9-8-10-12-19)21-14-22(39-5)27(40-6)29(35)34(21)15-41-28-24(34)20(25)13-23-26(28)43-16-42-23/h7-14,18,25,30,38H,15-16H2,1-6H3/b17-7-/t18-,25+,30-,33-,34-/m0/s1
InChIKey: DXQWWPXSKMXYIB-GMHBQWHQSA-N
SMILES: C/C=C(/C)\C(=O)O[C@@H]1[C@@H]([C@]([C@H](C2=CC(=C(C(=O)[C@@]23COC4=C3C1=CC5=C4OCO5)OC)OC)OC(=O)C6=CC=CC=C6)(C)O)C
EINECS: -
