cymarin

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InChI :InChI=1/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
Std.InChI: InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
InChIKey :XQCGNURMLWFQJR-ZNDDOCHDBF
Std.InChIKey: XQCGNURMLWFQJR-ZNDDOCHDSA-N
SMILES :C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
MDL: MFCD00003669
Molar Refractivity :140.27 ± 0.4 cm3 (est)
Parachor :1154.1 ± 6.0 cm3 (est)
Index of Refraction :1.589 ± 0.03 (est)
Surface Tension :59.4 ± 5.0 dyne/cm (est)
Density :1.31 ± 0.1 g/cm3 (est)
Polarizability :55.61 ± 0.5 10-24cm3 (est)