ergosterol endoperoxide

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InChI :InChI=1/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
Std.InChI: InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
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InChIKey :VXOZCESVZIRHCJ-KGHQQZOUBC
Std.InChIKey: VXOZCESVZIRHCJ-KGHQQZOUSA-N
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SMILES :C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
MDL: MFCD01746240
Molar Refractivity :126.20 ± 0.4 cm3 (est)
Parachor :1008.0 ± 6.0 cm3 (est)
Index of Refraction :1.551 ± 0.03 (est)
Surface Tension :42.3 ± 5.0 dyne/cm (est)
Density :1.08 ± 0.1 g/cm3 (est)
Polarizability :50.02 ± 0.5 10-24cm3 (est)