![#14;PHENYL-2-AZIDO-4-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-LEVULINOYLOXY-HEXADECANOICACID]-AMIDO-BETA-D-GLUCOPYRANOSYL]-2-DEOXY-1-THIO-ALPHA-D-GLUCO](/api/spectrum/tvXCe7ow8q/structure.png?h=300&w=458 "#14;PHENYL-2-AZIDO-4-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-LEVULINOYLOXY-HEXADECANOICACID]-AMIDO-BETA-D-GLUCOPYRANOSYL]-2-DEOXY-1-THIO-ALPHA-D-GLUCO")
| SpectraBase Compound ID | Fv7M5BQIKkc |
|---|---|
| InChI | InChI=1S/C53H72N4O12S/c1-3-4-5-6-7-8-9-10-11-12-20-27-39(66-44(60)31-30-36(2)58)32-43(59)55-45-47(61)50-42(35-64-51(69-50)38-25-18-14-19-26-38)67-52(45)65-34-41-49(63-33-37-23-16-13-17-24-37)48(62)46(56-57-54)53(68-41)70-40-28-21-15-22-29-40/h13-19,21-26,28-29,39,41-42,45-53,61-62H,3-12,20,27,30-35H2,1-2H3,(H,55,59)/t39-,41-,42+,45+,46-,47+,48-,49-,50+,51+,52+,53-/m1/s1 |
| InChIKey | URGWHXTXMIHGQI-AVRZNTHOSA-N |
| Mol Weight | 989.2 g/mol |
| Molecular Formula | C53H72N4O12S |
| Exact Mass | 988.486745 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | tvXCe7ow8q |
|---|---|
| Name | #14;PHENYL-2-AZIDO-4-O-BENZYL-6-O-[4,6-O-BENZYLIDENE-2-DEOXY-2-[(R)-3-LEVULINOYLOXY-HEXADECANOICACID]-AMIDO-BETA-D-GLUCOPYRANOSYL]-2-DEOXY-1-THIO-ALPHA-D-GLUCO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H72N4O12S |
| InChI | InChI=1S/C53H72N4O12S/c1-3-4-5-6-7-8-9-10-11-12-20-27-39(66-44(60)31-30-36(2)58)32-43(59)55-45-47(61)50-42(35-64-51(69-50)38-25-18-14-19-26-38)67-52(45)65-34-41-49(63-33-37-23-16-13-17-24-37)48(62)46(56-57-54)53(68-41)70-40-28-21-15-22-29-40/h13-19,21-26,28-29,39,41-42,45-53,61-62H,3-12,20,27,30-35H2,1-2H3,(H,55,59)/t39-,41-,42+,45+,46-,47+,48-,49-,50+,51+,52+,53-/m1/s1 |
| InChIKey | URGWHXTXMIHGQI-AVRZNTHOSA-N |
| Literature Reference Author | B.SANTHANAM,G.J.BOONS |
| Literature Reference Citation | ORG.LETTERS,6,3333(2004) |
| Literature Reference DOI | 10.1021/ol048746f |
| Molecular Weight | 989.234 g/mol |
| Sample ID | 50954 |
| Solvent | CDCl3 |