punicalagin

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InChI :InChI=1/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2
Std.InChI: InChI=1S/C48H28O30/c49-5-16-40(76-46(70)9-3-13(52)28(56)32(60)18(9)17-8(44(68)74-16)2-12(51)27(55)31(17)59)39-15(54)6-73-43(67)7-1-11(50)29(57)33(61)19(7)21-25-23-24-26(48(72)78-41(23)37(65)35(21)63)22(36(64)38(66)42(24)77-47(25)71)20-10(45(69)75-39)4-14(53)30(58)34(20)62/h1-5,15-16,39-40,50-66H,6H2
InChIKey :SKNLUADAGHCXKF-UHFFFAOYAL
Std.InChIKey: SKNLUADAGHCXKF-UHFFFAOYSA-N
SMILES :O=C1Oc%10c(O)c(O)c5c2c%10c3c1c(c(O)c(O)c3OC2=O)c4c(O)c(O)c(O)cc4C(=O)OC(C(O)COC(=O)c6cc(O)c(O)c(O)c56)C9OC(=O)c7c(c(O)c(O)c(O)c7)c8c(O)c(O)c(O)cc8C(=O)OC9C=O
MDL: MFCD09838017
Molar Refractivity :241.72 ± 0.3 cm3 (est)
Parachor :1832.1 ± 6.0 cm3 (est)
Index of Refraction :1.893 ± 0.02 (est)
Surface Tension :151.3 ± 3.0 dyne/cm (est)
Density :2.076 ± 0.06 g/cm3 (est)
Polarizability :95.82 ± 0.5 10-24cm3 (est)