| SpectraBase Spectrum ID |
xLRc0mY8Ug |
| Name |
Aggregatin C |
| Appearance |
Yellow powder |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O4 |
| InChI |
InChI=1S/C17H16O4/c1-10-4-5-11-8-15(20-3)14-9-12(19-2)6-7-13(14)16(11)21-17(10)18/h4-10H,1-3H3/t10-/m0/s1 |
| InChIKey |
IQEKTTGPKLTKDL-JTQLQIEISA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1002466 |
| Molecular Weight |
284.311 g/mol |
| Optical Rotation |
[a]D25 = +52.0 (c = 0.05, CHCl3) |
| Reported Formula |
C17H17O4 |
| SMILES |
C1(Oc2c(C=C[C@@]1(C)[H])cc(c1c2ccc(c1)OC)OC)=O |
| SPLASH |
splash10-0006-0090000000-690a12d90aba1b160244 |
| Source of Spectrum |
G4-73-1437-3 |
| Wiley ID |
1849008 |
![AGGREGATIN_C;4,6-DIMETHOXY-3'-METHYLNAPHTHO-[1.2-B]-OXEPIN-2'-(3'-H)-ONE](/api/spectrum/xLRc0mY8Ug/structure.png?h=300&w=458 "AGGREGATIN_C;4,6-DIMETHOXY-3'-METHYLNAPHTHO-[1.2-B]-OXEPIN-2'-(3'-H)-ONE")
