| SpectraBase Spectrum ID |
2IfXLJ5IYBH |
| Name |
(2S,3S,4S,5R,6R)-3-Acetyl-4-(2'-bromphenyl)-2-methoxy-2-methyl-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran |
| Alternate Name(s) |
1-((2S,3S,4S,5R,6R)-4-(2-bromophenyl)-2-methoxy-2-methyl-5-nitro-6-(phenylethynyl)tetrahydro-2H-pyran-3-yl)ethanone |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H22BrNO5 |
| InChI |
InChI=1S/C23H22BrNO5/c1-15(26)21-20(17-11-7-8-12-18(17)24)22(25(27)28)19(30-23(21,2)29-3)14-13-16-9-5-4-6-10-16/h4-12,19-22H,1-3H3/t19-,20-,21-,22+,23+/m1/s1 |
| InChIKey |
XMPDGTANRMZDDC-CCSDVLNMSA-N |
| Literature Reference DOI |
10.1021/ol501236a |
| Molecular Weight |
472.335 g/mol |
| SMILES |
[C@]1(O[C@](C#Cc2ccccc2)([C@]([N+](=O)[O-])([C@](c2c(cccc2)Br)([C@]1(C(=O)C)[H])[H])[H])[H])(OC)C |
| SPLASH |
splash10-05r4-2953000000-27143bcdc32709b4d543 |
| Source of Spectrum |
A1-16-3636/SM4-6b |
| Wiley ID |
1749529 |
