| SpectraBase Spectrum ID |
AUNsCNLGtn8 |
| Name |
(1RS,2SR,4SR,7RS,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-one |
| Alternate Name(s) |
Ethyl 4-methylbenzenesulfonate
[(3aR,6aS)-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+/m1/s1 |
| InChIKey |
AACPDKTXUYTBFN-WKZWJKICSA-N |
| Molecular Weight |
374.495 g/mol |
| SMILES |
C12C3C(=O)[C@]4([C@]2(CC(C13)(C)C)[C@@](COS(c1ccc(cc1)C)(=O)=O)(CC4)[H])[H] |
| SPLASH |
splash10-0udi-0092000000-56885522bba78cc2d8f7 |
| Source of Spectrum |
E1-38-23-23 |
| Wiley ID |
1518337 |
![(1RS,2SR,4SR,7RS,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-one](/api/spectrum/AUNsCNLGtn8/structure.png?h=300&w=458 "(1RS,2SR,4SR,7RS,8RS,11SR)-10,10-Dimethyl-7-[(p-tosyloxy)methyl]tetracyclo[6.3.0.0(2,11).0(4,8)]undecane-3-one")
