| SpectraBase Spectrum ID |
9uJuPCZKKJb |
| Name |
Cholest-5-ene-3,26-diol, 26-(4-methylbenzenesulfonate), (3.beta.,25R)- |
| Alternate Name(s) |
(25R)-5-cholesten-3.beta.,26-diol-26-tosylate
(3beta,25R)-3-hydroxycholest-5-en-27-yl 4-methylbenzenesulfonate |
| CAS Registry Number |
71472-91-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H52O4S |
| InChI |
InChI=1S/C34H52O4S/c1-23-9-12-28(13-10-23)39(36,37)38-22-24(2)7-6-8-25(3)30-15-16-31-29-14-11-26-21-27(35)17-19-33(26,4)32(29)18-20-34(30,31)5/h9-13,24-25,27,29-32,35H,6-8,14-22H2,1-5H3/t24-,25-,27+,29+,30-,31+,32+,33+,34-/m1/s1 |
| InChIKey |
KKFPDLSYWBIUOB-OHKZIQLKSA-N |
| Molecular Weight |
556.846 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](CCC[C@](COS(c5ccc(cc5)C)(=O)=O)(C)[H])(C)[H])(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-00yi-4293320000-db2f4d9bbb1d82dbb35c |
| Source of Spectrum |
K-112-2685-0 |
| Wiley ID |
1406428 |
