| SpectraBase Compound ID | EfISoWJ5kum |
|---|---|
| InChI | InChI=1S/C49H79N15O24S/c1-19(55-43(81)26(10-23-12-51-18-53-23)61-47(85)35(50)21(3)69)39(77)54-20(2)40(78)62-29(15-66)46(84)60-27(11-32(71)64-48-36(56-22(4)70)38(76)37(75)31(17-68)88-48)41(79)52-13-33(72)57-28(14-65)44(82)58-24(8-9-89-5)42(80)63-30(16-67)45(83)59-25(49(86)87)6-7-34(73)74/h12,18-21,24-31,35-38,48,65-69,75-76H,6-11,13-17,50H2,1-5H3,(H,51,53)(H,52,79)(H,54,77)(H,55,81)(H,56,70)(H,57,72)(H,58,82)(H,59,83)(H,60,84)(H,61,85)(H,62,78)(H,63,80)(H,64,71)(H,73,74)(H,86,87) |
| InChIKey | JCTLPKROEBCVMU-UHFFFAOYSA-N |
| Mol Weight | 1294.3 g/mol |
| Molecular Formula | C49H79N15O24S |
| Exact Mass | 1293.51431 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 67NJWSYpobW |
|---|---|
| Name | H-Thr-his-ala-ala-ser-asn(.beta.-D-glc-nac)-gly-ser-met-ser-glu-oh |
| Comments | PH=3.0|Reassigned 2/4,43/44 Mgr. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C49H79N15O24S |
| InChI | InChI=1S/C49H79N15O24S/c1-19(55-43(81)26(10-23-12-51-18-53-23)61-47(85)35(50)21(3)69)39(77)54-20(2)40(78)62-29(15-66)46(84)60-27(11-32(71)64-48-36(56-22(4)70)38(76)37(75)31(17-68)88-48)41(79)52-13-33(72)57-28(14-65)44(82)58-24(8-9-89-5)42(80)63-30(16-67)45(83)59-25(49(86)87)6-7-34(73)74/h12,18-21,24-31,35-38,48,65-69,75-76H,6-11,13-17,50H2,1-5H3,(H,51,53)(H,52,79)(H,54,77)(H,55,81)(H,56,70)(H,57,72)(H,58,82)(H,59,83)(H,60,84)(H,61,85)(H,62,78)(H,63,80)(H,64,71)(H,73,74)(H,86,87) |
| InChIKey | JCTLPKROEBCVMU-UHFFFAOYSA-N |
| Literature Reference | M. Meldal, K. Bock, Tetrahedron Lett. 6987 (1990). |
| NMR Standard | Dioxane |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |