| SpectraBase Spectrum ID |
AQRA4ER7sqB |
| Name |
8'-O-Ethyl-.beta.-Alectoronic Acid |
| Comments |
Removed - expert review: contamination (DOP) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C30H36O9 |
| InChI |
InChI=1S/C30H36O9/c1-4-7-9-11-20-14-18-13-19(31)15-24(25(18)28(34)37-20)38-27-21-17-30(36-6-3,12-10-8-5-2)39-29(35)26(21)22(32)16-23(27)33/h13-16,31-33H,4-12,17H2,1-3H3 |
| InChIKey |
MQPGRJXZJRCSJW-UHFFFAOYSA-N |
| Molecular Weight |
540.609 g/mol |
| SMILES |
Oc1cc2C=C(OC(c2c(Oc2c3CC(OC(c3c(cc2O)O)=O)(OCC)CCCCC)c1)=O)CCCCC |
| SPLASH |
splash10-0002-0900000000-59f0011ca17d625c960e |
| Source of Spectrum |
X2-57-937-2 |
| Synonyms |
3-ethoxy-6,8-dihydroxy-5-[(6-hydroxy-1-oxo-3-pentyl-2-benzopyran-8-yl)oxy]-3-pentyl-3,4-dihydro-1H-2-benzopyran-1-one
3-ethoxy-6,8-dihydroxy-5-(6-hydroxy-1-oxo-3-pentylisochromen-8-yl)oxy-3-pentyl-4H-isochromen-1-one
3-ethoxy-6,8-dihydroxy-5-(6-hydroxy-1-oxo-3-pentyl-isochromen-8-yl)oxy-3-pentyl-isochroman-1-one
3-ethoxy-6,8-bis(oxidanyl)-5-(6-oxidanyl-1-oxidanylidene-3-pentyl-isochromen-8-yl)oxy-3-pentyl-4H-isochromen-1-one |
| Wiley ID |
1605541 |
