| SpectraBase Spectrum ID |
AOpAXhwWamY |
| Name |
4-Isobenzofurancarboxylic acid, 5-(benzoyloxy)-1,3,3a,4,5,7a-hexahydro-6-methyl-3-oxo-, (3a.alpha.,4.beta.,5.beta.,7a.alpha.)-(.+-.)- |
| Alternate Name(s) |
(3a.alpha.,4.beta.,5.beta.,7a.alpha.)-5-(benzoyloxy)-6-methyl-1,3,3a,5,7a-hexahydro-3-oxo-4-isobenzofurancarboxylic acid
(3aR,4R,5R,7aR)-5-(benzoyloxy)-6-methyl-3-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-carboxylic acid |
| CAS Registry Number |
114132-93-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O6 |
| InChI |
InChI=1S/C17H16O6/c1-9-7-11-8-22-17(21)12(11)13(15(18)19)14(9)23-16(20)10-5-3-2-4-6-10/h2-7,11-14H,8H2,1H3,(H,18,19)/t11-,12+,13+,14-/m0/s1 |
| InChIKey |
IBXUJCYZWRZYKY-DGAVXFQQSA-N |
| Molecular Weight |
316.309 g/mol |
| SMILES |
OC([C@]1([C@](C(C)=C[C@@]2([C@]1(C(OC2)=O)[H])[H])(OC(=O)c1ccccc1)[H])[H])=O |
| SPLASH |
splash10-0a4i-0900000000-0b9240503bfa1cbc76d1 |
| Source of Spectrum |
J-53-1868-12 |
| Wiley ID |
1316662 |
