| SpectraBase Spectrum ID |
LVSOj1ajtHK |
| Name |
Butanoic acid, 3-methyl-, 1-[hydroxy(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-2-methyl-2-propenyl ester, [S-(R*,R*)]- |
| CAS Registry Number |
131669-17-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O6 |
| InChI |
InChI=1S/C20H24O6/c1-11(2)10-16(22)26-19(12(3)4)18(23)17-14(24-5)8-6-13-7-9-15(21)25-20(13)17/h6-9,11,18-19,23H,3,10H2,1-2,4-5H3/t18-,19-/m0/s1 |
| InChIKey |
WQQMKMAPSKCSDK-OALUTQOASA-N |
| Molecular Weight |
360.406 g/mol |
| SMILES |
O[C@@](c1c2OC(=O)C=Cc2ccc1OC)([C@@](OC(=O)CC(C)C)(C(=C)C)[H])[H] |
| SPLASH |
splash10-0a4i-0090000000-e536b0b17f2ce83b10f9 |
| Source of Spectrum |
KC-1990-2053-6 |
| Synonyms |
(1S)-1-[(S)-hydroxy(7-methoxy-2-oxo-2H-chromen-8-yl)methyl]-2-methyl-2-propenyl 3-methylbutanoate
Murrangatin isovalerate |
| Wiley ID |
1348347 |
![Butanoic acid, 3-methyl-, 1-[hydroxy(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-2-methyl-2-propenyl ester, [S-(R*,R*)]-](/api/spectrum/LVSOj1ajtHK/structure.png?h=300&w=458 "Butanoic acid, 3-methyl-, 1-[hydroxy(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)methyl]-2-methyl-2-propenyl ester, [S-(R*,R*)]-")
