| SpectraBase Spectrum ID |
KeFM6PbSTfC |
| Name |
Toluene-4-sulfonic acid (1aR,4R,4aS,6cS)-6,6-dimethyl-1-oxo-decahydro-cyclopenta[g]cyclopropa[cd]pentalen-4-ylmethyl ester |
| Alternate Name(s) |
(1RS,2SR,4SR,7SR,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-one
[(3aR,6R,6aS,6bS)-2,2-dimethyl-3-oxodecahydrocyclopenta[g]cyclopropa[cd]pentalen-6-yl]methyl 4-methylbenzenesulfonate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O4S |
| InChI |
InChI=1S/C21H26O4S/c1-12-4-7-14(8-5-12)26(23,24)25-10-13-6-9-15-19(22)16-17-18(16)21(13,15)11-20(17,2)3/h4-5,7-8,13,15-18H,6,9-11H2,1-3H3/t13-,15-,16?,17?,18+,21-/m0/s1 |
| InChIKey |
AACPDKTXUYTBFN-XYNYDIBPSA-N |
| Molecular Weight |
374.495 g/mol |
| SMILES |
[C@]12(C3C(=O)[C@]4([C@]2(CC(C13)(C)C)[C@](COS(c1ccc(cc1)C)(=O)=O)(CC4)[H])[H])[H] |
| SPLASH |
splash10-0udi-0090000000-9de54bc316b7e92ee762 |
| Source of Spectrum |
E1-38-1127-19 |
| Wiley ID |
1518340 |
![Toluene-4-sulfonic acid (1aR,4R,4aS,6cS)-6,6-dimethyl-1-oxo-decahydro-cyclopenta[g]cyclopropa[cd]pentalen-4-ylmethyl ester](/api/spectrum/KeFM6PbSTfC/structure.png?h=300&w=458 "Toluene-4-sulfonic acid (1aR,4R,4aS,6cS)-6,6-dimethyl-1-oxo-decahydro-cyclopenta[g]cyclopropa[cd]pentalen-4-ylmethyl ester")
