| SpectraBase Spectrum ID |
8dmnI1FYHZX |
| Name |
3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, trans-(.+-.)- |
| Alternate Name(s) |
(+)-threo-4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
(+-)-threo-4,6-Dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-3H-2-benzopyran-7-carboxylic acid
(.+-.)-Citrinin
(3S,4R)-8-hydroxy-3,4,5-trimethyl-6-oxo-4,6-dihydro-3H-2-benzopyran-7-carboxylic acid |
| CAS Registry Number |
110170-49-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H14O5 |
| InChI |
InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,15H,1-3H3,(H,16,17)/t5-,7-/m0/s1 |
| InChIKey |
CQIUKKVOEOPUDV-FSPLSTOPSA-N |
| Molecular Weight |
250.250 g/mol |
| SMILES |
OC1=C(C(=O)O)C(C(=C2C1=CO[C@]([C@@]2(C)[H])(C)[H])C)=O |
| SPLASH |
splash10-0fb9-0690000000-84ff49937fffe15aacee |
| Source of Spectrum |
KC-1986-2109-1 |
| Wiley ID |
1253096 |
