| SpectraBase Spectrum ID |
9iHjAK6hY3M |
| Name |
Methyl-7.alpha.-hydroxy-8a.alpha.-methoxy carbonyl oxy-3-oxo-4a.alpha.,7,8,8a-tetrahydrochroman-4.alpha.-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H16O8 |
| InChI |
InChI=1S/C13H16O8/c1-18-11(16)10-8-4-3-7(14)5-13(8,20-6-9(10)15)21-12(17)19-2/h3-4,7-8,10,14H,5-6H2,1-2H3/t7-,8?,10+,13-/m0/s1 |
| InChIKey |
FLQZIAIHTOKDBM-PUFSVNCSSA-N |
| Molecular Weight |
300.263 g/mol |
| SMILES |
O[C@]1(C=CC2[C@](OC(=O)OC)(OCC(=O)[C@@]2(C(=O)OC)[H])C1)[H] |
| SPLASH |
splash10-0006-9000000000-0ff6ac5974528a5104a0 |
| Source of Spectrum |
F-35-2395-0 |
| Synonyms |
methyl (4R,7R,8aS)-7-hydroxy-8a-[(methoxycarbonyl)oxy]-3-oxo-3,4,4a,7,8,8a-hexahydro-2H-chromene-4-carboxylate |
| Wiley ID |
1302454 |
