| SpectraBase Spectrum ID |
HWjpVO4D8aO |
| Name |
{( 1S*,3R*,,5R*,7R*,8R*,9R*,10R*,12R*)-3-Ethoxy-10-hydroxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecane} methylsulfonate |
| Alternate Name(s) |
(1S,2R,4R,6R,8S,9R,11R)-6-ethoxy-9-isopropyl-3,3-dimethoxy-12-methyl-7-oxatetracyclo[6.4.0.0(2,6).0(4,12)]dodec-11-yl methanesulfonate |
| Comments |
Removed - expert review: contamination (sulfur)) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H34O7S |
| InChI |
InChI=1S/C20H34O7S/c1-8-25-19-10-13-18(4)14(27-28(7,21)22)9-12(11(2)3)16(26-19)15(18)17(19)20(13,23-5)24-6/h11-17H,8-10H2,1-7H3/t12-,13-,14-,15+,16-,17-,18-,19-/m1/s1 |
| InChIKey |
AYMZQBANJLTVOV-LKPJAFIRSA-N |
| Molecular Weight |
418.545 g/mol |
| SMILES |
[C@]12([C@@]3(O[C@]4([C@@]2([C@]([C@](OS(=O)(=O)C)(C[C@@]4(C(C)C)[H])[H])(C)[C@@](C1(OC)OC)([H])C3)[H])[H])OCC)[H] |
| SPLASH |
splash10-08fr-9660000000-9d4455fc2fc4f1e73940 |
| Source of Spectrum |
AH-125-1004-8 |
| Wiley ID |
1377076 |
![{( 1S*,3R*,,5R*,7R*,8R*,9R*,10R*,12R*)-3-Ethoxy-10-hydroxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecane} methylsulfonate](/api/spectrum/HWjpVO4D8aO/structure.png?h=300&w=458 "{( 1S*,3R*,,5R*,7R*,8R*,9R*,10R*,12R*)-3-Ethoxy-10-hydroxy-12-isopropyl-6,6-dimethoxy-9-methyl-2-oxatetracyclo[6.4.0.0(3,7).0(5,9)]dodecane} methylsulfonate")
