| SpectraBase Spectrum ID |
7sfMqMsJvv9 |
| Name |
methyl (1R,3R,5R)-3-acetyl-1-benzyl-4,4-dimethyl-3,5-bis(3-methylbut-2-enyl)-2-oxo-cyclohexanecarboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H40O4 |
| InChI |
InChI=1S/C29H40O4/c1-20(2)14-15-24-19-28(26(32)33-8,18-23-12-10-9-11-13-23)25(31)29(22(5)30,27(24,6)7)17-16-21(3)4/h9-14,16,24H,15,17-19H2,1-8H3/t24-,28+,29-/m1/s1 |
| InChIKey |
GWADZUWFJCGSOJ-OFQAEJFBSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201707069 |
| Molecular Weight |
452.635 g/mol |
| Quality |
17 |
| Reported Formula |
C29H40O4 |
| SMILES |
[C@@]1(C([C@](C([C@@](C1)(CC=C(C)C)[H])(C)C)(C(=O)C)CC=C(C)C)=O)(C(OC)=O)CC1=CC=CC=C1 |
| SPLASH |
splash10-000i-0009200000-8b9e6e31555423d70c64 |
| Source of Spectrum |
ACI-56-SM24-43b (DOI: 10.1002/anie.201707069) |
| Thin-Layer Chromatography |
0.50 (petroleum ether/ethyl acetate, 10:1) |
| Wiley ID |
1896605 |
