| SpectraBase Spectrum ID |
3Jd23JdbTb6 |
| Name |
Pregn-5-ene-3,21-diol, 20-methyl-, 21-(4-methylbenzenesulfonate), (3.beta.,20S)- |
| CAS Registry Number |
83872-45-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H42O4S |
| InChI |
InChI=1S/C29H42O4S/c1-19-5-8-23(9-6-19)34(31,32)33-18-20(2)25-11-12-26-24-10-7-21-17-22(30)13-15-28(21,3)27(24)14-16-29(25,26)4/h5-9,20,22,24-27,30H,10-18H2,1-4H3/t20-,22+,24+,25-,26+,27+,28+,29-/m1/s1 |
| InChIKey |
WUFXICGIEYKUIB-LIFKPSPXSA-N |
| Molecular Weight |
486.711 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4([C@@]([C@@](COS(c5ccc(cc5)C)(=O)=O)(C)[H])(CC[C@]4([C@@]3(CC=C2C1)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-06r6-9561000000-83a74e307cbf015ca86f |
| Source of Spectrum |
H-65-1510-0 |
| Synonyms |
(20S)s-(20-methyl-5-pregnen-3.beta.,21-diol)-21-p-toluolsulfonate
(2S)-2-[(1S,2R,5S,10S,11S,14R,15S)-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]propyl 4-methylbenzene-1-sulfonate |
| Wiley ID |
1396533 |
