| SpectraBase Spectrum ID |
EZlW2AfLbJl |
| Name |
3,beta.-Acetoxycholestan-4-one |
| Alternate Name(s) |
(3beta)-4-oxocholestan-3-yl acetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O3 |
| InChI |
InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)22-12-13-23-21-10-11-25-27(31)26(32-20(4)30)15-17-29(25,6)24(21)14-16-28(22,23)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22-,23+,24+,25?,26+,28-,29-/m1/s1 |
| InChIKey |
BPXCARLFAVANBD-HCQZOHHSSA-N |
| Molecular Weight |
444.700 g/mol |
| SMILES |
[C@@]12(C(C(=O)[C@](CC2)(OC(=O)C)[H])CC[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@]12[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C |
| SPLASH |
splash10-0f6x-0002900000-00fc37fb3f980209a024 |
| Source of Spectrum |
KC-0-3197-25 |
| Wiley ID |
829487 |
