CHOLESTEROL ISOPROPYL CARBONATE(78916-25-3) 13C NMR
Product NameCHOLESTEROL ISOPROPYL CARBONATE
CAS78916-25-3
Molecular FormulaC31H52O3
Molecular Weight472.74
InChIInChI=1/C31H52O3/c1-20(2)9-8-10-22(5)26-13-14-27-25-12-11-23-19-24(34-29(32)33-21(3)4)15-17-30(23,6)28(25)16-18-31(26,27)7/h11,20-22,24-28H,8-10,12-19H2,1-7H3/t22-,24+,25+,26-,27+,28+,30+,31-/s3
InChIKey DFGCTZUMTALIQV-ZPIQQWIFNA-N
Smiles[C@]12(CC=C3C[C@@H](OC(=O)OC(C)C)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C)[H] |&1:0,5,15,17,21,23,26,28,r|
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Assign. Shift(ppm)
A 5.393 B 4.864 C 4.461 D 2.40 K 1.295 L 1.007 M 0.915 P *1 0.867 Q *1 0.862 R 0.677Spectral Code: 1H NMR : 400 MHz in CDCl3
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ppm Int. Assign.
154.03 667 1 139.50 844 2 122.82 539 3 77.40 631 4 71.44 638 5 56.75 589 6 56.22 638 7 50.07 582 8 42.35 667 9 39.78 496 10 39.56 560 11 38.11 447 12 36.94 440 13 36.58 858 14 36.23 468 15 35.81 652 16 31.90 851 17 18 28.23 589 19 28.02 844 20 27.78 468 21 24.29 454 22 23.87 468 23 22.82 539 24 22.56 511 24 21.81 1000 25 21.09 426 26 19.27 411 27 18.74 447 28 11.88 418 29Spectral Code: 13C NMR : in CDCl3
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Spectral Code: IR : KBr disc
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Spectral Code: Raman : 4880 A,200 M,powder