11-HYDROXY-AEROTHIONIN
Compound with spectra: 2 NMR
| SpectraBase Compound ID | Ek7CDlKhV0L |
|---|---|
| InChI | InChI=1S/C24H26Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,10,19-20,33-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)/t10?,19-,20-,23+,24+/m0/s1 |
| InChIKey | AROOVIRXACQMLA-PAJOYRTFSA-N |
| Mol Weight | 834.11 g/mol |
| Molecular Formula | C24H26Br4N4O9 |
| Exact Mass | 829.84333 g/mol |
| Enantiomer InChIKey | AROOVIRXACQMLA-JSENYIHUSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
CAISSARINE-A
(+)-12-HYDROXYAEROTHIONIN
DIHYDROXY-AEROTHIONIN
11-DIHYDRO-AEROTHIONIN
APLYSINA-METABOLITE-14;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-BUTYLCARBAMATE
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
APLYSINAMISINE-2
SUBEREAMOLLINE_B
QRCHFTPWKYEDNH-CJNGLKHVSA-N
| 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 |
| 11-Oxoaerothionin: A Cytotoxic Antitumor Bromotyrosine-Derived Alkaloid from the Caribbean Marine Sponge Aplysina lacunosa | Journal of Natural Products | 1992 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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