vitamin D

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IUPAC Name :(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
InChI :InChI=1/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
Std.InChI: InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
InChIKey :QYSXJUFSXHHAJI-YRZJJWOYBL
Std.InChIKey: QYSXJUFSXHHAJI-YRZJJWOYSA-N
SMILES :C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](CCC3=C)O)C
Molar Refractivity :121.27 ± 0.4 cm3 (est)
Parachor :979.4 ± 6.0 cm3 (est)
Index of Refraction :1.523 ± 0.03 (est)
Surface Tension :37.0 ± 5.0 dyne/cm (est)
Density :0.96 ± 0.1 g/cm3 (est)
Polarizability :48.07 ± 0.5 10-24cm3 (est)