| SpectraBase Spectrum ID |
3ACTtM6HD6 |
| Name |
6-(Benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H23NO8 |
| InChI |
InChI=1S/C23H23NO8/c1-23(27)15(11-25)18(13-6-4-3-5-7-13)21(24(28)29)19(20(23)22(26)30-2)14-8-9-16-17(10-14)32-12-31-16/h3-11,15,18-21,27H,12H2,1-2H3/t15-,18-,19+,20-,21-,23-/m1/s1 |
| InChIKey |
FGSIEDKWJRAYKT-FUTWLCCKSA-N |
| Literature Reference DOI |
10.1002/adsc.201200120 |
| Molecular Weight |
441.436 g/mol |
| SMILES |
O[C@@]1(C)[C@]([C@@]([C@]([N+](=O)[O-])([C@](c2ccccc2)([C@]1(C=O)[H])[H])[H])(c1cc2c(cc1)OCO2)[H])(C(=O)OC)[H] |
| SPLASH |
splash10-002f-6970600000-76fa799376b529cc52b2 |
| Source of Spectrum |
ASC-354-1486-5g |
| Synonyms |
(1S,2R,3R,4S,5R,6R)-methyl 6-(benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylate |
| Wiley ID |
1763063 |
![6-(Benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylic acid methyl ester](/api/spectrum/3ACTtM6HD6/structure.png?h=300&w=458 "6-(Benzo[d][1,3]dioxol-5-yl)-3-formyl-2-hydroxy-2-methyl-5-nitro-4-phenylcyclohexanecarboxylic acid methyl ester")
