asperagenin

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InChI :InChI=1/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20-,21-,22-,23-,24+,25+,26-,27+/m0/s1
Std.InChI: InChI=1S/C27H44O5/c1-15-23-22(32-27(15)10-9-24(2,30)14-31-27)13-19-17-12-21(29)20-11-16(28)5-7-25(20,3)18(17)6-8-26(19,23)4/h15-23,28-30H,5-14H2,1-4H3/t15-,16-,17+,18-,19-,20-,21-,22-,23-,24+,25+,26-,27+/m0/s1
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InChIKey :ILVZNZHXRYGRGV-UYLOAILUBM
Std.InChIKey: ILVZNZHXRYGRGV-UYLOAILUSA-N
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SMILES :C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]([C@H]5[C@@]4(CC[C@@H](C5)O)C)O)C)O[C@]16CC[C@@](CO6)(C)O
Molar Refractivity :122.73 ± 0.4 cm3 (est)
Parachor :993.2 ± 6.0 cm3 (est)
Index of Refraction :1.579 ± 0.03 (est)
Surface Tension :52.3 ± 5.0 dyne/cm (est)
Density :1.21 ± 0.1 g/cm3 (est)
Polarizability :48.65 ± 0.5 10-24cm3 (est)