| SpectraBase Spectrum ID |
FK43lqFs63K |
| Name |
(7Z,24S)-24-Ethyl-5,6-seco-cholest-7,24(28)-diene-3.beta.,5.beta.,6-triol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.391645531 u |
| Formula |
C29H52O3 |
| InChI |
InChI=1S/C29H52O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23(14-17-30)26(13-16-28(24,25)5)29(6)15-12-22(31)18-27(29)32/h14,19-22,24-27,30-32H,7-13,15-18H2,1-6H3/b23-14-/t20?,21-,22-,24+,25?,26?,27-,28+,29+/m0/s1 |
| InChIKey |
UFWGPJSBLCVHCP-VXANBPETSA-N |
| Molecular Weight |
448.732 g/mol |
| SMILES |
[C@]12(C(\C(=C\CO)C([C@@]3([C@](C[C@](CC3)(O)[H])(O)[H])C)CC1)CC[C@@]2(C(CC[C@@](C(C)C)(CC)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867923 |
