CAISSARINE-B
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 8kl8p6mPyZL |
|---|---|
| InChI | InChI=1S/2C27H32Br4N4O9/c2*1-41-20-14(28)8-26(22(37)18(20)30)10-16(34-43-26)24(39)32-7-5-3-4-6-13(36)12-33-25(40)17-11-27(44-35-17)9-15(29)21(42-2)19(31)23(27)38/h2*8-9,13,22-23,36-38H,3-7,10-12H2,1-2H3,(H,32,39)(H,33,40)/t2*13?,22-,23+,26+,27-/m10/s1 |
| InChIKey | HVAAKETUMOXFKS-QJXXHLCYSA-N |
| Mol Weight | 1752.4 g/mol |
| Molecular Formula | C54H64Br8N8O18 |
| Exact Mass | 1743.780561 g/mol |
| Enantiomer InChIKey | HVAAKETUMOXFKS-CABGKCLDSA-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. |
|---|---|
| Solvent | CD3OD |
CAISSARINE-A
DIHYDROXY-AEROTHIONIN
11-DIHYDRO-AEROTHIONIN
QRCHFTPWKYEDNH-CJNGLKHVSA-N
APLYSINAMETABOLITE;METHYL-4-[(5S,10R)-7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO-[4.5]-DECA-2,6,8-TRIENECARBOXAMIDO]-2-OXO-BUTYLCARBAMATE
OXO-HOMOAEROTHIONIN
PSEUDOCERATININE-A
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
WZOZWDIIJSJYPV-CJNGLKHVSA-N
PSAMMAPLYSIN_X;ISOMER_1
| Title | Journal or Book | Year |
|---|---|---|
| Two Unprecedented Dibromotyrosine-Derived Alkaloids from the Brazilian Endemic Marine Sponge Aplysina caissara | Journal of Natural Products | 2002 |
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.