| SpectraBase Spectrum ID |
6u5Z90ZNwVl |
| Name |
Pregn-5-ene-20-methanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, 4-methylbenzenesulfonate, (3.beta.,20S)- |
| Alternate Name(s) |
(20S)-(20-methyl-3.beta.-[(tetrahydropyran-2-yl)oxy]-5-pregnen-21-ol)-p-toluolsulfonate
(2S)-2-[(2R,5S,14R,15S)-2,15-dimethyl-5-(oxan-2-yloxy)tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-7-en-14-yl]propyl 4-methylbenzene-1-sulfonate |
| CAS Registry Number |
58507-66-7 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H50O5S |
| InChI |
InChI=1S/C34H50O5S/c1-23-8-11-27(12-9-23)40(35,36)38-22-24(2)29-14-15-30-28-13-10-25-21-26(39-32-7-5-6-20-37-32)16-18-33(25,3)31(28)17-19-34(29,30)4/h8-12,24,26,28-32H,5-7,13-22H2,1-4H3/t24-,26+,28?,29-,30?,31?,32?,33+,34-/m1/s1 |
| InChIKey |
IRXPQDPZPJVEDW-FTGVZEFQSA-N |
| Molecular Weight |
570.829 g/mol |
| SMILES |
C(OS(c1ccc(cc1)C)(=O)=O)[C@]([C@@]1([C@@]2(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC2OCCCC2)(C4)[H])C)CC1)C)[H])(C)[H] |
| SPLASH |
splash10-052f-9341100000-3f3675df005b833475be |
| Source of Spectrum |
H-65-1511-0 |
| Wiley ID |
1407732 |
![Pregn-5-ene-20-methanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, 4-methylbenzenesulfonate, (3.beta.,20S)-](/api/spectrum/6u5Z90ZNwVl/structure.png?h=300&w=458 "Pregn-5-ene-20-methanol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-, 4-methylbenzenesulfonate, (3.beta.,20S)-")
