| SpectraBase Spectrum ID |
6x3Oja1Q69G |
| Name |
Methyl (1R,2S,3S,5S)-7,7-(2',2'-dimethyltrimethylenedioxy)-3-(4-nitrobenzylsulfonyloxy)bicyclo[3.3.0]octan-2-oate |
| Alternate Name(s) |
(1R,2S,3S,5S)-7,7-(2',2'-Dimethyltrimethylenedioxy)-3-(4-nitrobenzylsulfonyloxy)bicyclo[3.3.0]octane-2-carboxylic acid methyl ester |
| Comments |
Note: The molecular formula of the structure shown is C22H29NO9S - which differs from the formula reported for the mass spectrum (C21H27NO9S) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H27NO9S |
| InChI |
InChI=1S/C22H29NO9S/c1-21(2)12-30-22(31-13-21)9-15-8-18(19(17(15)10-22)20(24)29-3)32-33(27,28)11-14-4-6-16(7-5-14)23(25)26/h4-7,15,17-19H,8-13H2,1-3H3/t15-,17+,18-,19-/m0/s1 |
| InChIKey |
VCOQQTOGQDNDGE-NQYYFHDYSA-N |
| Molecular Weight |
483.532 g/mol |
| SMILES |
[C@@]12([C@@]([C@](C[C@]1(CC1(C2)OCC(CO1)(C)C)[H])(OS(=O)(=O)Cc1ccc(cc1)N(=O)=O)[H])(C(=O)OC)[H])[H] |
| SPLASH |
splash10-014l-9340100000-c08ba885267edddefbca |
| Source of Spectrum |
F-67-6882-3 |
| Wiley ID |
1570983 |
![Methyl (1R,2S,3S,5S)-7,7-(2',2'-dimethyltrimethylenedioxy)-3-(4-nitrobenzylsulfonyloxy)bicyclo[3.3.0]octan-2-oate](/api/spectrum/6x3Oja1Q69G/structure.png?h=300&w=458 "Methyl (1R,2S,3S,5S)-7,7-(2',2'-dimethyltrimethylenedioxy)-3-(4-nitrobenzylsulfonyloxy)bicyclo[3.3.0]octan-2-oate")
