![(2S,3S,4R)-1-O-[BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-[(2R)-2-HYDROXYTETRACOSANOYL-AMINO]-1,3,4-TRIHYDROXY-HEXADECANE](/api/spectrum/96uZREHhSTc/structure.png?h=300&w=458 "(2S,3S,4R)-1-O-[BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-[(2R)-2-HYDROXYTETRACOSANOYL-AMINO]-1,3,4-TRIHYDROXY-HEXADECANE")
| SpectraBase Compound ID | AFMHvvdEsS0 |
|---|---|
| InChI | InChI=1S/C51H99NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-39(56)49(63)52-37(42(57)38(55)32-30-28-26-24-22-14-12-10-8-6-4-2)36-64-50-47(62)45(60)48(41(35-54)66-50)67-51-46(61)44(59)43(58)40(34-53)65-51/h37-48,50-51,53-62H,3-36H2,1-2H3,(H,52,63)/t37-,38+,39+,40-,41-,42-,43+,44+,45-,46-,47-,48-,50-,51+/m0/s1 |
| InChIKey | NCNBJNSAHHHNKG-YSVXQPHOSA-N |
| Mol Weight | 966.3 g/mol |
| Molecular Formula | C51H99NO15 |
| Exact Mass | 965.701471 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96uZREHhSTc |
|---|---|
| Name | (2S,3S,4R)-1-O-[BETA-D-GALACTOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL]-2-[(2R)-2-HYDROXYTETRACOSANOYL-AMINO]-1,3,4-TRIHYDROXY-HEXADECANE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H99NO15 |
| InChI | InChI=1S/C51H99NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-39(56)49(63)52-37(42(57)38(55)32-30-28-26-24-22-14-12-10-8-6-4-2)36-64-50-47(62)45(60)48(41(35-54)66-50)67-51-46(61)44(59)43(58)40(34-53)65-51/h37-48,50-51,53-62H,3-36H2,1-2H3,(H,52,63)/t37-,38+,39+,40-,41-,42-,43+,44+,45-,46-,47-,48-,50-,51+/m0/s1 |
| InChIKey | NCNBJNSAHHHNKG-YSVXQPHOSA-N |
| Literature Reference Author | M.INAGAKI,T.SAITO,T.MIYAMOTO,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,204(2009) |
| Literature Reference DOI | 10.1248/cpb.57.204 |
| Molecular Weight | 966.345 g/mol |
| Sample ID | 2487 |
| Solvent | C5D5N |