MIRABILIN
Compound with spectra: 2 NMR
| SpectraBase Compound ID | Jn42YMHCNWs |
|---|---|
| InChI | InChI=1S/C76H123N3O22/c1-41(2)65(88)50(12)73(94)76(14,15)34-33-60(86)77-63(66(89)42(3)4)69(92)47(9)36-45(7)67(90)43(5)31-32-53(82)39-61(87)79-62(51(13)80)58-38-52(81)27-26-28-55(83)44(6)35-46(8)68(91)49(11)56(84)40-54-37-48(10)71(99-17)72(100-54)57(98-16)29-24-22-20-18-19-21-23-25-30-59(85)78-64(75(97)101-58)70(93)74(95)96/h18-26,28-30,33-36,41-44,47-58,62-72,80-84,88-93H,27,31-32,37-40H2,1-17H3,(H,77,86)(H,78,85)(H,79,87)(H,95,96)/b19-18+,22-20+,23-21+,28-26+,29-24+,30-25+,34-33+,45-36+,46-35+/t43?,44-,47?,48-,49-,50-,51?,52?,53?,54-,55+,56+,57?,58?,62?,63-,64?,65-,66?,67?,68-,69+,70?,71-,72+/m0/s1 |
| InChIKey | ALHCXBJQORVIJW-WQNAVNGFSA-N |
| Mol Weight | 1430.8 g/mol |
| Molecular Formula | C76H123N3O22 |
| Exact Mass | 1429.859823 g/mol |
| Enantiomer InChIKey | ALHCXBJQORVIJW-MOWUHKFMSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMF-D7 |
2-phenoxyethyl 4-(2-chloro-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
4-Z-ONNAMIDE-A
5,3'-DIHYDROXY-4-METHOXY-7-O-BETA-D-GLUCOPYRANOSIDE-8-PRENYL-ISOFLAVONE
3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-methoxyethyl ester
1-(4-chlorophenyl)-3-hydroxy-6,6-dimethyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
(2S,4aR,5S,8R,8aS)-5-Hydroxy-2,3,5,6,7,8,8a-heptahydrospiro[2,8-epoxynaphthalene-1(4H),2'-naphth0[1,8-de][1,3-dioxin]-4(4aH)-one] (CP4a)
3-quinolinecarboxylic acid, 4-(2-chloro-5-nitrophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-, 2-methylpropyl ester
9-Chloro-6-.beta.-iodo-10'-hydroxy-2'-carboxy-10'-methyl-spiro{cyclopropane-1,11'-tricyclo[5.3.1]-8'-undecene}-2',10'-lactone
TERT.-BUTYL_N-{2-OXO-2-[(2,3,6-TRI-O-ACETYL-4-O-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSYL)-AMINO]-ETHYL}-GLYCYLPROLINATE;#7D
AIXYSWQDAPNCOM-XOCARQJCSA-N
| Title | Journal or Book | Year |
|---|---|---|
| Mirabilin, an Antitumor Macrolide Lactam from the Marine Sponge Siliquariaspongia mirabilis | Journal of Natural Products | 2008 |
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.