| SpectraBase Compound ID | AdKL9zahRg2 |
|---|---|
| InChI | InChI=1S/C81H76O26/c1-80(91-4)81(2,92-5)107-65-62(106-80)59(48-95-78-66(103-75(88)55-42-26-12-27-43-55)63(101-73(86)53-38-22-10-23-39-53)60(99-71(84)51-34-18-8-19-35-51)57(97-78)46-93-69(82)49-30-14-6-15-31-49)96-77(90-3)68(65)105-79-67(104-76(89)56-44-28-13-29-45-56)64(102-74(87)54-40-24-11-25-41-54)61(100-72(85)52-36-20-9-21-37-52)58(98-79)47-94-70(83)50-32-16-7-17-33-50/h6-45,57-68,77-79H,46-48H2,1-5H3/t57-,58-,59+,60-,61-,62+,63+,64+,65-,66+,67+,68+,77-,78+,79-,80-,81-/m0/s1 |
| InChIKey | SQEDMTNUDOFDLL-QLYVQVDKSA-N |
| Mol Weight | 1465.5 g/mol |
| Molecular Formula | C81H76O26 |
| Exact Mass | 1464.462483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1KuPfz2DpWT |
|---|---|
| Name | METHYL-2,6-DI-O-(2,3,4,6-TETRA-O-BENZOYL-ALPHA-D-MANNOPYRANOSYL)-(1->2)-3,4-DI-O-(2,3-DIMETHOXYBUTANE-2,3-DIYL)-ALPHA-D-GLUCOPYRANOSYL |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C81H76O26 |
| InChI | InChI=1S/C81H76O26/c1-80(91-4)81(2,92-5)107-65-62(106-80)59(48-95-78-66(103-75(88)55-42-26-12-27-43-55)63(101-73(86)53-38-22-10-23-39-53)60(99-71(84)51-34-18-8-19-35-51)57(97-78)46-93-69(82)49-30-14-6-15-31-49)96-77(90-3)68(65)105-79-67(104-76(89)56-44-28-13-29-45-56)64(102-74(87)54-40-24-11-25-41-54)61(100-72(85)52-36-20-9-21-37-52)58(98-79)47-94-70(83)50-32-16-7-17-33-50/h6-45,57-68,77-79H,46-48H2,1-5H3/t57-,58-,59+,60-,61-,62+,63+,64+,65-,66+,67+,68+,77-,78+,79-,80-,81-/m0/s1 |
| InChIKey | SQEDMTNUDOFDLL-QLYVQVDKSA-N |
| Literature Reference Author | C.URIEL,A.AGOCS,A.M.GOMEZ,J.C.LOPEZ,B.FRASER-REID |
| Literature Reference Citation | ORG.LETTERS,7,4899(2005) |
| Literature Reference DOI | 10.1021/ol0518232 |
| Molecular Weight | 1465.479 g/mol |
| Sample ID | 41945 |
| Solvent | Unknown |