| SpectraBase Spectrum ID |
89Xd2Ga3b2c |
| Name |
methyl (1S,5R)-3-acetyl-5-benzyl-4-methyl-1-(3-methylbut-2-enyl)-2-oxo-cyclohex-3-ene-1-carboxylate |
| Appearance |
Pale yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.198759378 u |
| Formula |
C23H28O4 |
| InChI |
InChI=1S/C23H28O4/c1-15(2)11-12-23(22(26)27-5)14-19(13-18-9-7-6-8-10-18)16(3)20(17(4)24)21(23)25/h6-11,19H,12-14H2,1-5H3/t19-,23+/m1/s1 |
| InChIKey |
VPFABTPUIDTEIX-XXBNENTESA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201707069 |
| Molecular Weight |
368.473 g/mol |
| Quality |
135 |
| Reported Formula |
C23H28O4 |
| SMILES |
[C@@]1(C(C(=C([C@@](C1)(CC1=CC=CC=C1)[H])C)C(=O)C)=O)(C(OC)=O)CC=C(C)C |
| SPLASH |
splash10-00kf-9245000000-d0b6e2f6d7bc2f74c9dd |
| Sample Comments |
diastereomeric mixture (95:5) |
| Source of Spectrum |
ACI-56-SM11-33 (DOI: 10.1002/anie.201707069) |
| Thin-Layer Chromatography |
0.42 (petroleum ether/ethyl acetate, 3:1) |
| Wiley ID |
1896603 |
