neochlorogenin

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InChI :InChI=1/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1
Std.InChI: InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20-,21+,22-,23-,24-,25+,26-,27+/m0/s1
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InChIKey :PZNPHSFXILSZTM-UNARIRTPBL
Std.InChIKey: PZNPHSFXILSZTM-UNARIRTPSA-N
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SMILES :C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)C)C)OC1
Molar Refractivity :121.16 ± 0.4 cm3 (est)
Parachor :977.9 ± 6.0 cm3 (est)
Index of Refraction :1.564 ± 0.03 (est)
Surface Tension :47.6 ± 5.0 dyne/cm (est)
Density :1.16 ± 0.1 g/cm3 (est)
Polarizability :48.03 ± 0.5 10-24cm3 (est)