| SpectraBase Spectrum ID |
JXtc5Yr6zzj |
| Name |
3.beta.-acetate derivative of Cholestan-3.beta.-5.alpha.-6.alpha.-triol |
| Alternate Name(s) |
(3beta,5alpha,6alpha)-5,6-dihydroxycholestan-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H50O4 |
| InChI |
InChI=1S/C29H50O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-16-26(31)29(32)17-21(33-20(4)30)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-19,21-26,31-32H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25?,26+,27-,28-,29+/m1/s1 |
| InChIKey |
VOKRVQWGBJYQCH-RQTATVHASA-N |
| Molecular Weight |
462.715 g/mol |
| SMILES |
O[C@]1(C[C@@]2(C([C@@]3([C@@]1(C[C@](CC3)(OC(=O)C)[H])O)C)CC[C@@]1([C@](CC[C@@]21[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])[H] |
| SPLASH |
splash10-001i-0069100000-684ed9c20f4fbc44e7f2 |
| Source of Spectrum |
AH-106-693-0 |
| Wiley ID |
1391176 |
