AEROTHIONIN
Compound with spectra: 4 NMR
| SpectraBase Compound ID | LWHEr1YzI03 |
|---|---|
| InChI | InChI=1S/C24H26Br4N4O8/c1-37-17-11(25)7-23(19(33)15(17)27)9-13(31-39-23)21(35)29-5-3-4-6-30-22(36)14-10-24(40-32-14)8-12(26)18(38-2)16(28)20(24)34/h7-8,19-20,33-34H,3-6,9-10H2,1-2H3,(H,29,35)(H,30,36)/t19-,20-,23+,24+/m0/s1 |
| InChIKey | BJWQSQOWGBUSFC-UWXQAFAOSA-N |
| Mol Weight | 818.11 g/mol |
| Molecular Formula | C24H26Br4N4O8 |
| Exact Mass | 813.848416 g/mol |
| Enantiomer InChIKey | BJWQSQOWGBUSFC-CHOVIJNXSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
SUBEREAMOLLINE_A
N-[(5-S,10-R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENE-3-CARBONYL]-4-AMINOBUTANOIC_ACID
METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-3-OXO-BUTYLCARBAMATE
CALAFIANIN
(1'S)-5,6-Epoxy-3-bromo-3'-(benzylamido)spiro[4,5-dihydroisoxazole-5,1'-cyclohex-2'-en-4'-one]
ISGFGLUJCCUWLK-FMKPAKJESA-N
PSAMMAPLYSIN_Y
PSAMMAPLYSIN-E
PSAMMAPLYSIN_U
| Title | Journal or Book | Year |
|---|---|---|
| Unequivocal 13 C NMR assignment of cyclohexadienyl rings in bromotyrosine-derived metabolites from marine sponges | Magnetic Resonance in Chemistry | 2012 |
| Brominated Compounds from Marine Sponges of the Genus Aplysina and a Compilation of Their 13C NMR Spectral Data | Marine Drugs | 2011 |
| 11-Oxoaerothionin: A Cytotoxic Antitumor Bromotyrosine-Derived Alkaloid from the Caribbean Marine Sponge Aplysina lacunosa | Journal of Natural Products | 1992 |
| Chemistry of Sponges, VII. 11,19-Dideoxyfistularin 3 and 11-Hydroxyaerothionin, Bromotyrosine Derivatives from Pseudoceratina durissima | Journal of Natural Products | 1990 |
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.