| SpectraBase Spectrum ID |
1nPdmSQkRR7 |
| Name |
3,3-Dimethoxy-estra-5,9-dien-17-one |
| CAS Registry Number |
10109-76-9 |
| Classification |
Steroid hormone |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-19-10-8-15-14-9-11-20(22-2,23-3)12-13(14)4-5-16(15)17(19)6-7-18(19)21/h8,16-17H,4-7,9-12H2,1-3H3/t16?,17?,19-/m0/s1 |
| InChIKey |
YEOAIJNHLPFTRM-TVPLGVNVSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
316.441 g/mol |
| Nominal Mass |
316 u |
| Quality |
983 |
| Retention Index |
2393 |
| SMILES |
[C@]12(C(C3C(C4=C(CC(CC4)(OC)OC)CC3)=CC1)CCC2=O)C |
| SPLASH |
splash10-00lr-2891000000-7c7c42bac1b364e3f717 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(11aS)-7,7-Dimethoxy-11a-methyl-2,3,3a,3b,4,5,6,7,8,9,11,11a-dodecahydro-1H\r-cyclopenta[a]phenanthren-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024684 |
