| SpectraBase Spectrum ID |
9NAfaatj1AV |
| Name |
Androsta-1,4-diene-3,17-dione, 6,7-difluoro-, (6.alpha.,7.alpha.)- |
| Alternate Name(s) |
(6alpha,7alpha)-6,7-difluoroandrosta-1,4-diene-3,17-dione
6.alpha.,7.alpha.-difluoroandrosta-1,4-diene-3,17-dione |
| CAS Registry Number |
82423-37-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H22F2O2 |
| InChI |
InChI=1S/C19H22F2O2/c1-18-7-5-10(22)9-13(18)16(20)17(21)15-11-3-4-14(23)19(11,2)8-6-12(15)18/h5,7,9,11-12,15-17H,3-4,6,8H2,1-2H3/t11-,12-,15-,16+,17-,18+,19-/m0/s1 |
| InChIKey |
MPGFUPWJELUDKI-OZWALMNPSA-N |
| Molecular Weight |
320.380 g/mol |
| SMILES |
C=12[C@@]([C@]3(CC[C@]4([C@]([C@@]3([C@@]([C@@]2(F)[H])(F)[H])[H])(CCC4=O)[H])C)[H])(C=CC(C1)=O)C |
| SPLASH |
splash10-0076-0903000000-3b1704a8adc1adf1bb83 |
| Source of Spectrum |
KC-1982-1108-0 |
| Wiley ID |
1320239 |
