| SpectraBase Spectrum ID |
GDsXnzAW6Ye |
| Name |
Norcollatone |
| Alternate Name(s) |
6,8-dihydroxy-5-[(6-hydroxy-1-oxo-3-pentyl-1H-2-benzopyran-8-yl)oxy]-3-pentyl-1H-2-benzopyran-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H30O8 |
| InChI |
InChI=1S/C28H30O8/c1-3-5-7-9-18-12-16-11-17(29)13-23(24(16)27(32)34-18)36-26-20-14-19(10-8-6-4-2)35-28(33)25(20)21(30)15-22(26)31/h11-15,29-31H,3-10H2,1-2H3 |
| InChIKey |
GJHVAJCHULQBHL-UHFFFAOYSA-N |
| Molecular Weight |
494.540 g/mol |
| SMILES |
Oc1cc2C=C(OC(c2c(Oc2c3C=C(OC(c3c(cc2O)O)=O)CCCCC)c1)=O)CCCCC |
| SPLASH |
splash10-0006-0000900000-0759aa1b12c2ecc19caa |
| Source of Spectrum |
JA-49-1175-0 |
| Wiley ID |
1397935 |
