ixocarpalactone A

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InChI :InChI=1/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1
Std.InChI: InChI=1S/C28H40O8/c1-12-13(2)24(33)35-21(12)23(32)27(5,34)22-17(29)11-16-14-10-20-28(36-20)19(31)7-6-18(30)26(28,4)15(14)8-9-25(16,22)3/h6-7,12-17,19-23,29,31-32,34H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21-,22+,23-,25+,26+,27-,28-/m1/s1
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InChIKey :PHBPDHFIJFLEGD-QXYLURSYBI
Std.InChIKey: PHBPDHFIJFLEGD-QXYLURSYSA-N
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SMILES :C[C@@H]1[C@H](C(=O)O[C@H]1[C@H]([C@@](C)([C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)O)O)O)C
Molar Refractivity :128.99 ± 0.4 cm3 (est)
Parachor :1044.2 ± 6.0 cm3 (est)
Index of Refraction :1.612 ± 0.03 (est)
Surface Tension :62.9 ± 5.0 dyne/cm (est)
Density :1.36 ± 0.1 g/cm3 (est)
Polarizability :51.13 ± 0.5 10-24cm3 (est)