| SpectraBase Spectrum ID |
HAKLQ1Y0nLG |
| Name |
2-Butenoic acid, 2-methyl-, 5-acetyl-2,3-dihydro-6-hydroxy-2-(1-methylethenyl)-3-benzofuranyl ester, [2S-[2.alpha.,3.beta.(Z)]]- |
| Alternate Name(s) |
(2S,3R)-5-acetyl-6-hydroxy-2-isopropenyl-2,3-dihydro-1-benzofuran-3-yl (2Z)-2-methyl-2-butenoate
trans-3-hydroxy-2,3-dihydroeuparin-angelicate |
| CAS Registry Number |
62989-20-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H20O5 |
| InChI |
InChI=1S/C18H20O5/c1-6-10(4)18(21)23-17-13-7-12(11(5)19)14(20)8-15(13)22-16(17)9(2)3/h6-8,16-17,20H,2H2,1,3-5H3/b10-6-/t16-,17+/m0/s1 |
| InChIKey |
DECAFQNQVVPXBG-IRMRGROASA-N |
| Molecular Weight |
316.353 g/mol |
| SMILES |
Oc1c(cc2[C@]([C@](C(=C)C)(Oc2c1)[H])(OC(\C(=C/C)C)=O)[H])C(=O)C |
| SPLASH |
splash10-0gc0-2090000000-05c24f6c1fde2fe369bc |
| Source of Spectrum |
K-110-1041-0 |
| Wiley ID |
1316775 |
![2-Butenoic acid, 2-methyl-, 5-acetyl-2,3-dihydro-6-hydroxy-2-(1-methylethenyl)-3-benzofuranyl ester, [2S-[2.alpha.,3.beta.(Z)]]-](/api/spectrum/HAKLQ1Y0nLG/structure.png?h=300&w=458 "2-Butenoic acid, 2-methyl-, 5-acetyl-2,3-dihydro-6-hydroxy-2-(1-methylethenyl)-3-benzofuranyl ester, [2S-[2.alpha.,3.beta.(Z)]]-")
