| SpectraBase Spectrum ID |
CwNeVBG0Fem |
| Name |
rel-(3aR,7R,7aS)-(7-Cyclohexyl-6-ethoxycarbonylmethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydroisobenzofuran-5-yl)acetic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O7 |
| InChI |
InChI=1S/C22H30O7/c1-3-27-17(23)11-14-10-16-20(22(26)29-21(16)25)19(13-8-6-5-7-9-13)15(14)12-18(24)28-4-2/h13,16,19-20H,3-12H2,1-2H3/t16-,19+,20-/m1/s1 |
| InChIKey |
QQCVFLTUDURDIQ-LSTHTHJFSA-N |
| Molecular Weight |
406.475 g/mol |
| SMILES |
C1(=C(C[C@@]2([C@@](C(OC2=O)=O)([C@]1(C1CCCCC1)[H])[H])[H])CC(=O)OCC)CC(=O)OCC |
| SPLASH |
splash10-0a59-2974000000-b26ad5754e136d188dda |
| Source of Spectrum |
Y1-46-782-29 |
| Synonyms |
Ethyl[(3aR,7R,7aS)-7-cyclohexyl-6-(2-ethoxy-2-oxoethyl)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-yl]acetate |
| Wiley ID |
1622308 |
