casuariin

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InChI :InChI=1/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1
Std.InChI: InChI=1S/C34H24O22/c35-8-1-5-12(21(42)18(8)39)13-6(2-9(36)19(40)22(13)43)32(50)54-28(11(38)4-53-31(5)49)30-29-26(47)17-16(34(52)55-29)15(24(45)27(48)25(17)46)14-7(33(51)56-30)3-10(37)20(41)23(14)44/h1-3,11,26,28-30,35-48H,4H2/t11-,26-,28-,29+,30+/m1/s1
InChIKey :CHBITXAMNKHJCR-JNUHSSLSBC
Std.InChIKey: CHBITXAMNKHJCR-JNUHSSLSSA-N
SMILES :C1[C@H]([C@@H](OC(=O)C2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)O1)O)O)O)O)O)O)[C@H]4[C@@H]5[C@@H](C6=C(C(=C(C(=C6C(=O)O5)C7=C(C(=C(C=C7C(=O)O4)O)O)O)O)O)O)O)O
Molar Refractivity :173.42 ± 0.3 cm3 (est)
Parachor :1336.9 ± 6.0 cm3 (est)
Index of Refraction :1.853 ± 0.02 (est)
Surface Tension :142.5 ± 3.0 dyne/cm (est)
Density :2.027 ± 0.06 g/cm3 (est)
Polarizability :68.75 ± 0.5 10-24cm3 (est)