gambiriin A1

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IUPAC Name :(2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(1S,2S)-1-(3,4-dihydroxyphenyl)-2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]-3,4-dihydro-2H-chromene-3,5,7-triol
InChI :InChI=1/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27+,29+/m0/s1
Std.InChI: InChI=1S/C30H28O12/c31-14-7-19(34)15(20(35)8-14)9-24(39)27(12-1-3-17(32)22(37)5-12)28-25(40)11-21(36)16-10-26(41)29(42-30(16)28)13-2-4-18(33)23(38)6-13/h1-8,11,24,26-27,29,31-41H,9-10H2/t24-,26-,27+,29+/m0/s1
InChIKey :AAOPKIFUFWCDQZ-VIUUMSQEBS
Std.InChIKey: AAOPKIFUFWCDQZ-VIUUMSQESA-N
SMILES :C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@H](C3=CC(=C(C=C3)O)O)[C@H](CC4=C(C=C(C=C4O)O)O)O)O)O)C5=CC(=C(C=C5)O)O)O
Molar Refractivity :147.56 ± 0.3 cm3 (est)
Parachor :1108.8 ± 4.0 cm3 (est)
Index of Refraction :1.797 ± 0.02 (est)
Surface Tension :105.3 ± 3.0 dyne/cm (est)
Density :1.677 ± 0.06 g/cm3 (est)
Polarizability :58.49 ± 0.5 10-24cm3 (est)