| SpectraBase Spectrum ID |
1dt1eZvMP7e |
| Name |
3.alpha.-acetoxy-5.beta.-pregnane-11,20-dione 20-thioketal |
| Alternate Name(s) |
(3alpha,5beta)-17-(2-methyl-1,3-dithiolan-2-yl)-11-oxoandrostan-3-yl acetate |
| CAS Registry Number |
15807-43-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H38O3S2 |
| InChI |
InChI=1S/C25H38O3S2/c1-15(26)28-17-9-10-23(2)16(13-17)5-6-18-19-7-8-21(25(4)29-11-12-30-25)24(19,3)14-20(27)22(18)23/h16-19,21-22H,5-14H2,1-4H3/t16-,17-,18+,19+,21?,22-,23+,24+/m1/s1 |
| InChIKey |
AMYKQYBEEVQDIN-JKEKTGFGSA-N |
| Molecular Weight |
450.696 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC[C@]4([C@@]([C@]3(C(C2)=O)[H])(CC[C@@](OC(=O)C)(C4)[H])C)[H])[H])(CCC1C1(SCCS1)C)[H])C |
| SPLASH |
splash10-014i-0900100000-5355506281ba8dffc9ac |
| Source of Spectrum |
J-55-2175-31 |
| Wiley ID |
1387705 |
