| SpectraBase Spectrum ID |
Al8zmnj2DMs |
| Name |
2,3-Dihydroxy-2-methyl-butyric acid (3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydro-azuleno[4,5-b]furan-4-yl ester |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H24O7 |
| InChI |
InChI=1S/C20H24O7/c1-8-6-12(22)14-9(2)7-13(26-19(24)20(5,25)11(4)21)16-10(3)18(23)27-17(16)15(8)14/h6,11,13,15-17,21,25H,3,7H2,1-2,4-5H3/t11?,13-,15+,16-,17-,20?/m1/s1 |
| InChIKey |
BNMUDBGOVOSHKK-GHALXZIGSA-N |
| Molecular Weight |
376.405 g/mol |
| SMILES |
OC(C(C(O[C@]1([C@@]2([C@@]([C@@]3(C(C(=O)C=C3C)=C(C)C1)[H])(OC(=O)C2=C)[H])[H])[H])=O)(O)C)C |
| SPLASH |
splash10-0006-3091000000-cfc0165be63018ea26d9 |
| Source of Spectrum |
X2-50-28-3 |
| Synonyms |
(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylene-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl 2,3-dihydroxy-2-methylbutanoate
6-[2',3'-Dihydroxyangeloyl]-11-methylene-4,10-dimethyl-2,12-dioxo-13-oxa-tridec-3-ene
Guaianolide |
| Wiley ID |
1602156 |
