| SpectraBase Spectrum ID |
Dot1OfLOKW0 |
| Name |
3-Hydroxyandrost-4-ene-6,17-dione 3TMS |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
518.306775072 u |
| Formula |
C28H50O3Si3 |
| InChI |
InChI=1S/C28H50O3Si3/c1-27-16-14-20(29-32(3,4)5)18-24(27)25(30-33(6,7)8)19-21-22-12-13-26(31-34(9,10)11)28(22,2)17-15-23(21)27/h13,18-23H,12,14-17H2,1-11H3/t20-,21-,22-,23-,27+,28-/m0/s1 |
| InChIKey |
XCFBKFXJXUYQHV-QEHLSAKUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
518.960 g/mol |
| Nominal Mass |
518 u |
| Quality |
976 |
| Retention Index |
3821 |
| SMILES |
[C@]12([C@]([C@]3([C@@](C(=CC3)O[Si](C)(C)C)(CC1)C)[H])(C=C(C=1[C@@]2(CC[C@@](C1)(O[Si](C)(C)C)[H])C)O[Si](C)(C)C)[H])[H] |
| SPLASH |
splash10-014i-2121390000-4a7637814967dbdce50c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(((3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1,5-bis((trimethylsilyl)oxy)-3a,3b,7,8,9,9a,9b,10,11,\r11a-decahydro-3H-cyclopenta[a]phenanthren-7-yl)oxy)(trimethyl)silane |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014019 |
