oxepahyperforin

Right Click Jmol Molecule For More Options. Jmol is a free download found Here.
InChI :InChI=1/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3
Std.InChI: InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3
InChIKey :IFUPNXPBDBNEAO-UHFFFAOYAW
Std.InChIKey: IFUPNXPBDBNEAO-UHFFFAOYSA-N
SMILES :CC(C)C(=O)C12C(=O)C3(C(=O)C(C1(O3)O)(CC(C2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C
Molar Refractivity :160.85 ± 0.3 cm3 (est)
Parachor :1309.4 ± 6.0 cm3 (est)
Index of Refraction :1.529 ± 0.02 (est)
Surface Tension :39.8 ± 3.0 dyne/cm (est)
Density :1.060 ± 0.06 g/cm3 (est)
Polarizability :63.76 ± 0.5 10-24cm3 (est)