| SpectraBase Compound ID | XO9nVtWpDE |
|---|---|
| InChI | InChI=1S/C47H76N10O25/c1-15(48)39(73)52-24(12-58)42(76)55-30(18(4)63)44(78)57-31(19(5)64)45(79)56-29(17(3)62)43(77)51-23(40(74)50-22(10-20-6-8-21(65)9-7-20)41(75)54-28(16(2)61)38(49)72)11-27(66)53-46-35(70)34(69)37(26(14-60)80-46)82-47-36(71)33(68)32(67)25(13-59)81-47/h6-9,15-19,22-26,28-37,46-47,58-65,67-71H,10-14,48H2,1-5H3,(H2,49,72)(H,50,74)(H,51,77)(H,52,73)(H,53,66)(H,54,75)(H,55,76)(H,56,79)(H,57,78)/t15-,16-,17+,18+,19+,22-,23-,24+,25-,26-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,46-,47-/m1/s1 |
| InChIKey | VTPXZVAAAJBIRC-RWEDLNNKSA-N |
| Mol Weight | 1181.2 g/mol |
| Molecular Formula | C47H76N10O25 |
| Exact Mass | 1180.498308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 20tr1Moors9 |
|---|---|
| Name | D-ALA-SER-THR-THR-ASN-(4-O-ALPHA-D-GLUCOPYRANOSYL-BETA-D-GLUCOPYRANOSYL)-TYR-THR-NH2 |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H76N10O25 |
| InChI | InChI=1S/C47H76N10O25/c1-15(48)39(73)52-24(12-58)42(76)55-30(18(4)63)44(78)57-31(19(5)64)45(79)56-29(17(3)62)43(77)51-23(40(74)50-22(10-20-6-8-21(65)9-7-20)41(75)54-28(16(2)61)38(49)72)11-27(66)53-46-35(70)34(69)37(26(14-60)80-46)82-47-36(71)33(68)32(67)25(13-59)81-47/h6-9,15-19,22-26,28-37,46-47,58-65,67-71H,10-14,48H2,1-5H3,(H2,49,72)(H,50,74)(H,51,77)(H,52,73)(H,53,66)(H,54,75)(H,55,76)(H,56,79)(H,57,78)/t15-,16-,17+,18+,19+,22-,23-,24+,25-,26-,28+,29+,30+,31+,32-,33+,34-,35-,36-,37-,46-,47-/m1/s1 |
| InChIKey | VTPXZVAAAJBIRC-RWEDLNNKSA-N |
| Literature Reference Author | I.CHRISTIANSEN-BRAMS,M.MELDAL,K.BOCK |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1461(1993) |
| Literature Reference DOI | 10.1039/p19930001461 |
| Molecular Weight | 1181.172 g/mol |
| Solvent | ACETONE-D6:D2O=1:9 |
| Source File Reference | UWCP6149 |