| SpectraBase Spectrum ID |
240ByOABsgM |
| Name |
S-S Dimer of (1-Mercapto-4-methylestra-1,3,5(10)-trien-17-one) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C38H46O2S2 |
| InChI |
InChI=1S/C38H46O2S2/c1-21-5-13-31(35-23(21)7-9-25-27(35)17-19-37(3)29(25)11-15-33(37)39)41-42-32-14-6-22(2)24-8-10-26-28(36(24)32)18-20-38(4)30(26)12-16-34(38)40/h5-6,13-14,25-30H,7-12,15-20H2,1-4H3/t25?,26?,27?,28?,29?,30?,37-,38-/m0/s1 |
| InChIKey |
ALZYDIQZEJCFNJ-ZYLMCYPDSA-N |
| Molecular Weight |
598.904 g/mol |
| SMILES |
C12C(C3CCC([C@]3(CC2)C)=O)CCc2c1c(SSc1c3C4C(C5CCC([C@]5(CC4)C)=O)CCc3c(cc1)C)ccc2C |
| SPLASH |
splash10-0f6t-0518091000-16a0b650eecbc348c7a2 |
| Source of Spectrum |
U-1995-1398-4 |
| Synonyms |
4-Methyl-1-{[4-methyl-17-oxoestra-1,3,5(10)-trien-1-yl]disulfanyl}estra-1,3,5(10)-trien-17-one |
| Wiley ID |
767410 |
