ASPARTOCIN-A
Compound with spectra: 1 NMR
| SpectraBase Compound ID | EUbrmsTJade |
|---|---|
| InChI | InChI=1S/C60H95N13O20/c1-31(2)20-15-13-11-9-8-10-12-14-16-23-41(74)65-38(28-46(81)82)53(85)71-50-35(7)64-54(86)40-22-19-25-73(40)58(90)47(32(3)4)69-57(89)49(34(6)61)68-43(76)30-63-51(83)36(26-44(77)78)66-42(75)29-62-52(84)37(27-45(79)80)67-56(88)48(33(5)60(92)93)70-55(87)39-21-17-18-24-72(39)59(50)91/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H,62,84)(H,63,83)(H,64,86)(H,65,74)(H,66,75)(H,67,88)(H,68,76)(H,69,89)(H,70,87)(H,71,85)(H,77,78)(H,79,80)(H,81,82)(H,92,93)/b16-14-/t33?,34?,35?,36-,37-,38-,39+,40-,47-,48-,49+,50-/m0/s1 |
| InChIKey | FVVYOVMLZOFBJN-AQJPJACLSA-N |
| Mol Weight | 1318.5 g/mol |
| Molecular Formula | C60H95N13O20 |
| Exact Mass | 1317.681632 g/mol |
| Enantiomer InChIKey | FVVYOVMLZOFBJN-OGIWUHLNSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
ASPARTOCIN-B
KAWAGUCHIPEPTIN_B
GYPSOPHIN-B;CYCLO-[PROLINE(1)-PHENYLALANINE(2)-PROLINE(3)-PROLINE(4)-SERINE(5)-THREONINE(6)-GLYCINE(7)-LEUCINE(8)-PROLINE(9)-ISOLEUCINE(10)]
PATTELIN-2;MAJOR-CONFORMER
CYCLOMONTANIN_C;CYCLO-(-PHE(1)-PRO-(2)-PRO-(3)-THR-(4)-PHE-(5)-ASN-(6)-HIS-(7)-VAL-(8)-ASN-(9)-)
PHORIOSPONGIN-A
LOLOATIN-C;CYClIC-(L-ASPARAGINYL-L-ASPARTYL-L-TRYPTOPHANE-L-VALYL-L-ORNITHINYL-L-LEUCYL-D-TYROSYL-L-PROLYL-L-TRYPTOPHANE-D-PHENYLALANYL)
(3S,6S,9S,12R)-3-[(2S)-butan-2-yl]-6-[(1-methoxyindol-3-yl)methyl]-9-(7-oxidanyloctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
APICIDIN-D3
SEPTOCYLINDIN_A
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.