![#27;ALLYL-[2-S-ACETYL-3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL](/api/spectrum/APbI2AZskce/structure.png?h=300&w=458 "#27;ALLYL-[2-S-ACETYL-3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL")
| SpectraBase Compound ID | 9AD1mOcZOPP |
|---|---|
| InChI | InChI=1S/C79H84O16S/c1-3-44-83-77-73(70(86-49-60-36-20-8-21-37-60)67(84-47-58-32-16-6-17-33-58)64(90-77)52-81-45-56-28-12-4-13-29-56)94-78-74(71(87-50-61-38-22-9-23-39-61)68(85-48-59-34-18-7-19-35-59)65(91-78)53-82-46-57-30-14-5-15-31-57)95-79-75(96-55(2)80)72(88-51-62-40-24-10-25-41-62)69-66(92-79)54-89-76(93-69)63-42-26-11-27-43-63/h3-43,64-79H,1,44-54H2,2H3/t64-,65-,66+,67-,68-,69+,70+,71+,72-,73+,74+,75-,76+,77-,78+,79-/m0/s1 |
| InChIKey | JQOWTKFIZGQDPA-SABUYKOXSA-N |
| Mol Weight | 1321.6 g/mol |
| Molecular Formula | C79H84O16S |
| Exact Mass | 1320.548008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | APbI2AZskce |
|---|---|
| Name | #27;ALLYL-[2-S-ACETYL-3-O-BENZYL-4,6-O-BENZYLIDENE-2-O-DEOXY-BETA-D-GLUCOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL-BETA-D-MANNOPYRANOSYL-(1->2)]-3,4,6-TRI-O-BENZYL |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C79H84O16S |
| InChI | InChI=1S/C79H84O16S/c1-3-44-83-77-73(70(86-49-60-36-20-8-21-37-60)67(84-47-58-32-16-6-17-33-58)64(90-77)52-81-45-56-28-12-4-13-29-56)94-78-74(71(87-50-61-38-22-9-23-39-61)68(85-48-59-34-18-7-19-35-59)65(91-78)53-82-46-57-30-14-5-15-31-57)95-79-75(96-55(2)80)72(88-51-62-40-24-10-25-41-62)69-66(92-79)54-89-76(93-69)63-42-26-11-27-43-63/h3-43,64-79H,1,44-54H2,2H3/t64-,65-,66+,67-,68-,69+,70+,71+,72-,73+,74+,75-,76+,77-,78+,79-/m0/s1 |
| InChIKey | JQOWTKFIZGQDPA-SABUYKOXSA-N |
| Literature Reference Author | M.NITZ,D.R.BUNDLE |
| Literature Reference Citation | J.ORG.CHEM.,66,8411(2001) |
| Literature Reference DOI | 10.1021/jo010570x |
| Molecular Weight | 1321.586 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU29164 |