ananasic acid

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InChI :InChI=1/C30H48O5/c1-17(8-7-9-18(2)25(34)35)19-14-23(32)28(6)21-11-10-20-26(3,4)22(31)12-13-29(20)16-30(21,29)24(33)15-27(19,28)5/h9,17,19-24,31-33H,7-8,10-16H2,1-6H3,(H,34,35)/b18-9+/t17-,19-,20+,21+,22+,23+,24-,27-,28-,29-,30+/m1/s1
Std.InChI: InChI=1S/C30H48O5/c1-17(8-7-9-18(2)25(34)35)19-14-23(32)28(6)21-11-10-20-26(3,4)22(31)12-13-29(20)16-30(21,29)24(33)15-27(19,28)5/h9,17,19-24,31-33H,7-8,10-16H2,1-6H3,(H,34,35)/b18-9+/t17-,19-,20+,21+,22+,23+,24-,27-,28-,29-,30+/m1/s1
InChIKey :ITIWNCJDHYQADX-MYPSPUFHBX
Std.InChIKey: ITIWNCJDHYQADX-MYPSPUFHSA-N
SMILES :C[C@H](CC/C=C(\C)/C(=O)O)[C@H]1C[C@@H]([C@@]2([C@@]1(C[C@H]([C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)O)C)C)O
Molar Refractivity :136.57 ± 0.4 cm3 (est)
Parachor :1108.7 ± 6.0 cm3 (est)
Index of Refraction :1.579 ± 0.03 (est)
Surface Tension :53.0 ± 5.0 dyne/cm (est)
Density :1.18 ± 0.1 g/cm3 (est)
Polarizability :54.14 ± 0.5 10-24cm3 (est)