| SpectraBase Spectrum ID |
4b601teOF8p |
| Name |
4-Isobenzofuranacetic acid, 1,3-dihydro-.alpha.-methyl-3-oxo-5-(1,3,3-trimethylcyclohexyl)-, methyl ester, (R*,S*)-(-)- |
| CAS Registry Number |
106231-26-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/c1-13(18(22)24-5)16-15(8-7-14-11-25-19(23)17(14)16)21(4)10-6-9-20(2,3)12-21/h7-8,13H,6,9-12H2,1-5H3/t13-,21+/m0/s1 |
| InChIKey |
YWRLUOURIMRHED-YEJXKQKISA-N |
| Molecular Weight |
344.451 g/mol |
| SMILES |
c1(c([C@]2(CC(C)(C)CCC2)C)ccc2c1C(OC2)=O)[C@@](C(=O)OC)(C)[H] |
| SPLASH |
splash10-03di-2194000000-0b1f9d66ba5ddc73100d |
| Source of Spectrum |
J-52-298-2 |
| Synonyms |
(-)-Membranolide
Methyl (2S)-2-{3-oxo-5-[(1R)-1,3,3-trimethylcyclohexyl]-1,3-dihydro-2-benzofuran-4-yl}propanoate |
| Wiley ID |
1338127 |
