![(2S,3S,4R)-1-O-[O-BETA-D-GALACTOPYRANOSYL-(1->4)-EBTA-D-GLUCOPYRANOSYL]-2-[(2R)-2-HYDROXYTETRACOSANOYLAMINO]-1,3,4-HEXADECANETRIOL](/api/spectrum/6ubeFLCfBnG/structure.png?h=300&w=458 "(2S,3S,4R)-1-O-[O-BETA-D-GALACTOPYRANOSYL-(1->4)-EBTA-D-GLUCOPYRANOSYL]-2-[(2R)-2-HYDROXYTETRACOSANOYLAMINO]-1,3,4-HEXADECANETRIOL")
| SpectraBase Compound ID | 607ZYgYjJh |
|---|---|
| InChI | InChI=1S/C52H101NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-40(57)50(64)53-38(43(58)39(56)33-31-29-27-25-14-12-10-8-6-4-2)37-65-51-48(63)46(61)49(42(36-55)67-51)68-52-47(62)45(60)44(59)41(35-54)66-52/h38-49,51-52,54-63H,3-37H2,1-2H3,(H,53,64)/t38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,51-,52+/m0/s1 |
| InChIKey | COHXISRGLIOQAB-ZOMCJFBXSA-N |
| Mol Weight | 980.4 g/mol |
| Molecular Formula | C52H101NO15 |
| Exact Mass | 979.717122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ubeFLCfBnG |
|---|---|
| Name | (2S,3S,4R)-1-O-[O-BETA-D-GALACTOPYRANOSYL-(1->4)-EBTA-D-GLUCOPYRANOSYL]-2-[(2R)-2-HYDROXYTETRACOSANOYLAMINO]-1,3,4-HEXADECANETRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H101NO15 |
| InChI | InChI=1S/C52H101NO15/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-34-40(57)50(64)53-38(43(58)39(56)33-31-29-27-25-14-12-10-8-6-4-2)37-65-51-48(63)46(61)49(42(36-55)67-51)68-52-47(62)45(60)44(59)41(35-54)66-52/h38-49,51-52,54-63H,3-37H2,1-2H3,(H,53,64)/t38-,39-,40-,41-,42-,43+,44+,45+,46-,47-,48-,49-,51-,52+/m0/s1 |
| InChIKey | COHXISRGLIOQAB-ZOMCJFBXSA-N |
| Literature Reference Author | M.INAGAKI,T.MIYAMOTO,R.ISOBE,R.HIGUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1551(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1551 |
| Molecular Weight | 980.372 g/mol |
| Sample ID | 54607 |
| Solvent | C5D5N |