| SpectraBase Spectrum ID |
IJ2ZGaNesdK |
| Name |
Cholesta-5,22-diene-1,3,25-triol, (1.alpha.,3.beta.,22E)- |
| Alternate Name(s) |
(1alpha,3beta,22E)-cholesta-5,22-diene-1,3,25-triol
(22E)-5,22-cholestadien-1.alpha.,3.beta.,25-triol |
| CAS Registry Number |
83872-67-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
OC(C\C=C\[C@]([C@]1(CC[C@]2([C@@]3(CC=C4[C@]([C@](C[C@@](C4)(O)[H])(O)[H])([C@]3(CC[C@]12C)[H])C)[H])[H])[H])(C)[H])(C)C |
| SPLASH |
splash10-0a4i-9536000000-96844e500acdd3810fd4 |
| Source of Spectrum |
H-65-1518-0 |
| Wiley ID |
1376612 |
