| SpectraBase Spectrum ID |
ASMVNuV4f9j |
| Name |
1-Benzyl 3-{(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl)]-5-methylcyclohexyl} (2'R/S)-2'-(tert-butyl)malonate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H42O5 |
| InChI |
InChI=1S/C31H42O5/c1-21-13-18-25(31(5,6)23-14-16-24(34-7)17-15-23)26(19-21)36-29(33)27(30(2,3)4)28(32)35-20-22-11-9-8-10-12-22/h8-12,14-17,21,25-27H,13,18-20H2,1-7H3/t21-,25-,26-,27?/m1/s1 |
| InChIKey |
RXGIGKBHNBUMQJ-WJTNKFQJSA-N |
| Instrument Name |
Finnigan MAT, Varian Saturn II |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.13.5 |
| Molecular Weight |
494.672 g/mol |
| SMILES |
C1[C@](C[C@]([C@@](C1)(C(c1ccc(cc1)OC)(C)C)[H])(OC(C(C(=O)OCc1ccccc1)C(C)(C)C)=O)[H])(C)[H] |
| SPLASH |
splash10-0002-3900000000-e2374e001fb4a6d6136b |
| Source of Spectrum |
BJO-13-SM10-12a/b |
| Wiley ID |
1848312 |
![1-Benzyl 3-{(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl)]-5-methylcyclohexyl} (2'R/S)-2'-(tert-butyl)malonate](/api/spectrum/ASMVNuV4f9j/structure.png?h=300&w=458 "1-Benzyl 3-{(1R,2S,5R)-2-[2-(4-methoxyphenyl)propan-2-yl)]-5-methylcyclohexyl} (2'R/S)-2'-(tert-butyl)malonate")
