sandoricin

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InChI :InChI=1/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19?,20-,21-,22?,23?,25+,26?,29+,30?,31+/m0/s1
Std.InChI: InChI=1S/C31H40O11/c1-15-19-11-23(40-17(3)33)30(7)26(18-9-10-38-14-18)41-27(36)25(35)31(15,30)42-22-13-21(39-16(2)32)28(4,5)20(29(19,22)6)12-24(34)37-8/h9-10,14,19-23,25-26,35H,1,11-13H2,2-8H3/t19?,20-,21-,22?,23?,25+,26?,29+,30?,31+/m0/s1
InChIKey :FPZCLGWPFTXULY-BPCKSTTABD
Std.InChIKey: FPZCLGWPFTXULY-BPCKSTTASA-N
SMILES :CC(=O)O[C@H]1CC2[C@@]([C@H](C1(C)C)CC(=O)OC)(C3CC(C4(C(OC(=O)[C@H]([C@@]4(C3=C)O2)O)C5=COC=C5)C)OC(=O)C)C
Molar Refractivity :146.21 ± 0.4 cm3 (est)
Parachor :1218.4 ± 6.0 cm3 (est)
Index of Refraction :1.560 ± 0.03 (est)
Surface Tension :52.7 ± 5.0 dyne/cm (est)
Density :1.30 ± 0.1 g/cm3 (est)
Polarizability :57.96 ± 0.5 10-24cm3 (est)