CALAFIANIN
Compound with spectra: 2 NMR
| SpectraBase Compound ID | JWV6QksH7X8 |
|---|---|
| InChI | InChI=1S/C22H20Br2N4O8/c23-9-5-21(17-15(33-17)13(9)29)7-11(27-35-21)19(31)25-3-1-2-4-26-20(32)12-8-22(36-28-12)6-10(24)14(30)16-18(22)34-16/h5-6,15-18H,1-4,7-8H2,(H,25,31)(H,26,32)/t15-,16-,17-,18-,21-,22-/m1/s1 |
| InChIKey | OPMAEHVWCSXSKG-GARQETNWSA-N |
| Mol Weight | 628.23 g/mol |
| Molecular Formula | C22H20Br2N4O8 |
| Exact Mass | 625.96479 g/mol |
| Enantiomer InChIKey | OPMAEHVWCSXSKG-CSOYKPOESA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
#57;[(5R)-[5-ALPHA-(5'R*,9'R*,10'S*),9-ALPHA,10-BETA]]-(9CI)-1-OXA-2-AZASPIRO-[4,5]-DECA-2,6-DIENE-3-CARBOXAMIDE,N,N'-(2-OXO-1,4-BUTANEDIYL)-BIS-[7,9-DIBROMO-1
AGELOCAISSARINE-B2
AGELOCAISSARINE-B1
AGELOCAISSARINE-A2
AGELOCAISSARINE-A1
(10R)-ETHYL-7,9-DIBROMO-10-HYDROXY-8-METHYL-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENE-3-CARBOXYLATE
(5S,10R)-METHYL-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENE-3-CARBOXYLATE
REYNOSIN,4-B,15-DIHYDRO-15-HYDROXY
AMBULIC-ACID;SOLUTION
AMBUIC-ACID
| Title | Journal or Book | Year |
|---|---|---|
| Brominated Compounds from Marine Sponges of the Genus Aplysina and a Compilation of Their 13C NMR Spectral Data | Marine Drugs | 2011 |
| Calafianin, a Bromotyrosine Derivative from the Marine Sponge Aplysina gerardogreeni | Journal of Natural Products | 2000 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.