| SpectraBase Spectrum ID |
4ZULugmO1E5 |
| Name |
Toluene-4-sulfonic acid 2-[(1R,4aR,4bS)-3,3-dimethyl-2-oxo-4a-(2-oxo-ethyl)-octahydro-cyclopropa[cd]pentalen-1-yl]-ethyl ester |
| Alternate Name(s) |
(1RS,2SR,4SR,5SR,8SR)-7,7-Dimethyl-3-oxo-4-[2-(p-tosyloxy)ethyl]tricyclo[3.3.0.0(2,8)]octane-5-acetaldehyde
2-[(1R,4aR,4bS)-3,3-dimethyl-2-oxo-4a-(2-oxoethyl)octahydrocyclopropa[cd]pentalen-1-yl]ethyl 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O5S |
| InChI |
InChI=1S/C21H26O5S/c1-13-4-6-14(7-5-13)27(24,25)26-11-8-15-19(23)16-17-18(16)21(15,9-10-22)12-20(17,2)3/h4-7,10,15-18H,8-9,11-12H2,1-3H3/t15-,16?,17?,18+,21+/m0/s1 |
| InChIKey |
HCWQGKVFPVFZJJ-IETLGCKXSA-N |
| Molecular Weight |
390.494 g/mol |
| SMILES |
[C@]12(C3C(=O)[C@@]([C@]2(CC(C13)(C)C)CC=O)(CCOS(c1ccc(cc1)C)(=O)=O)[H])[H] |
| SPLASH |
splash10-014i-0090000000-509c0d220875aeb09cb6 |
| Source of Spectrum |
E1-38-1126-12 |
| Wiley ID |
1518348 |
![Toluene-4-sulfonic acid 2-[(1R,4aR,4bS)-3,3-dimethyl-2-oxo-4a-(2-oxo-ethyl)-octahydro-cyclopropa[cd]pentalen-1-yl]-ethyl ester](/api/spectrum/4ZULugmO1E5/structure.png?h=300&w=458 "Toluene-4-sulfonic acid 2-[(1R,4aR,4bS)-3,3-dimethyl-2-oxo-4a-(2-oxo-ethyl)-octahydro-cyclopropa[cd]pentalen-1-yl]-ethyl ester")
