| SpectraBase Spectrum ID |
2BQJTxzemGs |
| Name |
Benzenesulfinic acid, 4-methyl-, 6-(3-butynyl)dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]inden-3-yl ester, [3S-[3.alpha.(S*),3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.]]- |
| Alternate Name(s) |
(3R,3aR,5aR,6R,9aR,9bR)-6-(3-butynyl)-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-3-yl 4-methylbenzenesulfinate
17.beta.-toluene-p-sulphinyl-4,5-secoandrost-3-yn-5-one |
| CAS Registry Number |
81917-14-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H34O3S |
| InChI |
InChI=1S/C26H34O3S/c1-5-6-16-25(3)22-15-17-26(4)21(20(22)11-13-23(25)27)12-14-24(26)29-30(28)19-9-7-18(2)8-10-19/h1,7-10,20-22,24H,6,11-17H2,2-4H3/t20-,21-,22-,24-,25-,26-,30?/m1/s1 |
| InChIKey |
YMKKCAXFLULGGD-HUAIDTEESA-N |
| Molecular Weight |
426.615 g/mol |
| SMILES |
[C@]12([C@@]([C@]3(CCC([C@@]([C@@]3(CC2)[H])(CCC#C)C)=O)[H])(CC[C@]1(O[S@](c1ccc(cc1)C)=O)[H])[H])C |
| SPLASH |
splash10-00di-0091000000-25f9d9d74af7a7deceb7 |
| Source of Spectrum |
KC-1982-515-0 |
| Wiley ID |
1380038 |
![Benzenesulfinic acid, 4-methyl-, 6-(3-butynyl)dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]inden-3-yl ester, [3S-[3.alpha.(S*),3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.]]-](/api/spectrum/2BQJTxzemGs/structure.png?h=300&w=458 "Benzenesulfinic acid, 4-methyl-, 6-(3-butynyl)dodecahydro-3a,6-dimethyl-7-oxo-1H-benz[e]inden-3-yl ester, [3S-[3.alpha.(S*),3a.alpha.,5a.beta.,6.beta.,9a.alpha.,9b.beta.]]-")
