| SpectraBase Compound ID | 3chN8DBxa4S |
|---|---|
| InChI | InChI=1S/C25H40O3S2/c1-16(26)28-21-9-8-19-18-7-6-17-14-24(4,27)25(29-12-5-13-30-25)15-23(17,3)20(18)10-11-22(19,21)2/h17-21,27H,5-15H2,1-4H3 |
| InChIKey | HKKUMXUMLXINFQ-UHFFFAOYSA-N |
| Mol Weight | 452.7 g/mol |
| Molecular Formula | C25H40O3S2 |
| Exact Mass | 452.241887 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 342MKPjSF3T |
|---|---|
| Name | (5'.beta.)Spiro(1,3-dithiane)-2,2'-(androstan-3'-ol), 17'-acetoxy-3'.beta.-methyl- |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O3S2 |
| InChI | InChI=1S/C25H40O3S2/c1-16(26)28-21-9-8-19-18-7-6-17-14-24(4,27)25(29-12-5-13-30-25)15-23(17,3)20(18)10-11-22(19,21)2/h17-21,27H,5-15H2,1-4H3 |
| InChIKey | HKKUMXUMLXINFQ-UHFFFAOYSA-N |
| Molecular Weight | 452.712 g/mol |
| SMILES | OC1(C)CC2CCC3C4CCC(C4(C)CCC3C2(C)CC11SCCCS1)OC(=O)C |
| SPLASH | splash10-0f6x-8933300000-b2c371bc30f388f62c42 |
| Synonyms | Acetic acid (3'-hydroxy-3',10',13'-trimethyl-17'-spiro[1,3-dithiane-2,2'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]yl) ester (3'-hydroxy-3',10',13'-trimethylspiro[1,3-dithiane-2,2'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-yl) acetate (3'-hydroxy-3',10',13'-trimethyl-spiro[1,3-dithiane-2,2'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-yl) acetate (3',10',13'-trimethyl-3'-oxidanyl-spiro[1,3-dithiane-2,2'-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-yl) ethanoate |
| Wiley ID | 1489986 |