| SpectraBase Spectrum ID |
3nRfL71mVyP |
| Name |
Cholesta-5,22-diene-1,3,25-triol, (1.alpha.,3.beta.,22E)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.329045274 u |
| Formula |
C27H44O3 |
| InChI |
InChI=1S/C27H44O3/c1-17(7-6-13-25(2,3)30)21-10-11-22-20-9-8-18-15-19(28)16-24(29)27(18,5)23(20)12-14-26(21,22)4/h6-8,17,19-24,28-30H,9-16H2,1-5H3/b7-6+/t17-,19-,20+,21-,22+,23+,24+,26-,27+/m1/s1 |
| InChIKey |
HGEDZKLPSJAEKP-KDJYIFLESA-N |
| Molecular Weight |
416.646 g/mol |
| SMILES |
[C@]12(C(=CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]23[H])C)([C@@](\C=C\CC(O)(C)C)(C)[H])[H])[H])[H])C[C@](C[C@@]1(O)[H])(O)[H])C |
