| SpectraBase Spectrum ID |
IrqZO421yi4 |
| Name |
(1R*,4R*,5S*)-4-(Methoxycarbonyl)-1-[(phenylsulfonyl)methyl]-8-oxabicyclo[3.2.1]octan-3-one,Ethylene Acetal |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O7S |
| InChI |
InChI=1S/C18H22O7S/c1-22-16(19)15-14-7-8-17(25-14,11-18(15)23-9-10-24-18)12-26(20,21)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14-,15-,17+/m0/s1 |
| InChIKey |
MQMHGRWNZPTDFY-YQQAZPJKSA-N |
| Molecular Weight |
382.427 g/mol |
| SMILES |
C12([C@@]([C@@]3(CC[C@@](C2)(CS(=O)(=O)c2ccccc2)O3)[H])(C(=O)OC)[H])OCCO1 |
| SPLASH |
splash10-014i-0091000000-040c367314ca7c2756f0 |
| Source of Spectrum |
J-60-8392-15 |
| Synonyms |
methyl (1R,4R,5S)-1-[(benzenesulfonyl)methyl]-8-oxaspiro[bicyclo[3.2.1]octane-3,2'-[1,3]dioxolane]-4-carboxylate |
| Wiley ID |
1360433 |
![(1R*,4R*,5S*)-4-(Methoxycarbonyl)-1-[(phenylsulfonyl)methyl]-8-oxabicyclo[3.2.1]octan-3-one,Ethylene Acetal](/api/spectrum/IrqZO421yi4/structure.png?h=300&w=458 "(1R*,4R*,5S*)-4-(Methoxycarbonyl)-1-[(phenylsulfonyl)methyl]-8-oxabicyclo[3.2.1]octan-3-one,Ethylene Acetal")
