| SpectraBase Spectrum ID |
AXzVHK2GUYi |
| Name |
(22S)-3.beta.-Acetoxy-22-hydroxycholesta-5,24-diene |
| Alternate Name(s) |
(3beta,22S)-22-hydroxycholesta-5,24-dien-3-yl acetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H46O3 |
| InChI |
InChI=1S/C29H46O3/c1-18(2)7-12-27(31)19(3)24-10-11-25-23-9-8-21-17-22(32-20(4)30)13-15-28(21,5)26(23)14-16-29(24,25)6/h7-8,19,22-27,31H,9-17H2,1-6H3/t19-,22-,23-,24+,25-,26-,27-,28-,29+/m0/s1 |
| InChIKey |
IPQFYBBHDMAADT-MEMICBDASA-N |
| Molecular Weight |
442.684 g/mol |
| SMILES |
O[C@]([C@]([C@]1(CC[C@]2([C@@]3(CC=C4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(OC(=O)C)[H])[H])[H])[H])(C)[H])(CC=C(C)C)[H] |
| SPLASH |
splash10-03di-0009000000-670653543c7935042a92 |
| Source of Spectrum |
SO-0-699-13 |
| Wiley ID |
1539451 |
