| SpectraBase Spectrum ID |
2Iv7TccA4FP |
| Name |
Methyl 4,5-O-Isopentylidene-3-dehydro-4-epi-shikimate |
| Alternate Name(s) |
(3aR,7aR)-2,2-diethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylic acid methyl ester
Methyl (3aR,7aR)-2,2-diethyl-7-oxo-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylate
Methyl (3aR,7aR)-2,2-diethyl-7-oxidanylidene-4,7a-dihydro-3aH-1,3-benzodioxole-5-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O5 |
| InChI |
InChI=1S/C13H18O5/c1-4-13(5-2)17-10-7-8(12(15)16-3)6-9(14)11(10)18-13/h6,10-11H,4-5,7H2,1-3H3/t10-,11+/m1/s1 |
| InChIKey |
SHUJAAHDFMRHQF-MNOVXSKESA-N |
| Molecular Weight |
254.282 g/mol |
| SMILES |
[C@]12([C@](OC(O2)(CC)CC)(CC(=CC1=O)C(=O)OC)[H])[H] |
| SPLASH |
splash10-0a4i-9080000000-e24993dd1d34ba5cde3c |
| Source of Spectrum |
KD-13-1359-7 |
| Wiley ID |
1635397 |
