| SpectraBase Spectrum ID |
9lEgy1ol7RU |
| Name |
Aggregatin B |
| Appearance |
Green powder |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H14O3 |
| InChI |
InChI=1S/C16H14O3/c1-10-7-8-11-9-14(18-2)12-5-3-4-6-13(12)15(11)19-16(10)17/h3-10H,1-2H3/t10-/m0/s1 |
| InChIKey |
QSYRNTSUAYESPF-JTQLQIEISA-N |
| Instrument Name |
GCMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1002466 |
| Molecular Weight |
254.285 g/mol |
| Optical Rotation |
[a]D25 = +53.8 (c = 0.065, CHCl3) |
| Reported Formula |
C16H15O3 |
| SMILES |
C1(Oc2c(C=C[C@@]1(C)[H])cc(c1c2cccc1)OC)=O |
| SPLASH |
splash10-03di-0190000000-67c84a10de480a2d45e5 |
| Source of Spectrum |
G4-73-1437-2 |
| Wiley ID |
1849007 |
![AGGREGATIN_B;4-METHOXY-3'-METHYLNAPHTHO-[1.2-B]-OXEPIN-2'-(3'-H)-ONE](/api/spectrum/9lEgy1ol7RU/structure.png?h=300&w=458 "AGGREGATIN_B;4-METHOXY-3'-METHYLNAPHTHO-[1.2-B]-OXEPIN-2'-(3'-H)-ONE")
