| SpectraBase Spectrum ID |
9ac6H2kHlvk |
| Name |
Benzoic acid, 2,4,6-trimethyl-, 4-[3-[(acetyloxy)methyl]-4-hydroxy-2,2,4-trimethylcyclohexyl]-2-methyl-2-butenyl ester, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)- |
| CAS Registry Number |
128806-64-4 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40O5 |
| InChI |
InChI=1S/C27H40O5/c1-17(15-32-25(29)24-19(3)13-18(2)14-20(24)4)9-10-22-11-12-27(8,30)23(26(22,6)7)16-31-21(5)28/h9,13-14,22-23,30H,10-12,15-16H2,1-8H3/b17-9+/t22-,23-,27+/m0/s1 |
| InChIKey |
SQDWPLIHVIWQHZ-DJEHRONOSA-N |
| Molecular Weight |
444.612 g/mol |
| SMILES |
O[C@]1([C@](C([C@@](C\C=C\(COC(c2c(cc(cc2C)C)C)=O)C)(CC1)[H])(C)C)(COC(=O)C)[H])C |
| SPLASH |
splash10-0002-0960300000-068c0d2bc10510eed143 |
| Source of Spectrum |
F-46-481-14 |
| Synonyms |
(2E)-4-{(1R,3R,4R)-3-[(acetyloxy)methyl]-4-hydroxy-2,2,4-trimethylcyclohexyl}-2-methyl-2-butenyl 2,4,6-trimethylbenzoate
2-r-acetoxymethyl-1,3,3-trimethyl-4-c-[4-(2,4,6-trimethylbenzoyloxy)-3-methyl-2-e-buten-1-yl]-1-t-cyclo-hexanol |
| Wiley ID |
1386106 |
![Benzoic acid, 2,4,6-trimethyl-, 4-[3-[(acetyloxy)methyl]-4-hydroxy-2,2,4-trimethylcyclohexyl]-2-methyl-2-butenyl ester, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-](/api/spectrum/9ac6H2kHlvk/structure.png?h=300&w=458 "Benzoic acid, 2,4,6-trimethyl-, 4-[3-[(acetyloxy)methyl]-4-hydroxy-2,2,4-trimethylcyclohexyl]-2-methyl-2-butenyl ester, [1.alpha.(E),3.alpha.,4.beta.]-(.+-.)-")
