| SpectraBase Compound ID | IQKVbZzN13r |
|---|---|
| InChI | InChI=1S/C64H76O11/c1-40(2)45-30-35-64(37-36-62(6)46(51(45)64)28-29-49-61(5)33-32-50(65)60(3,4)48(61)31-34-63(49,62)7)39-71-59-54(75-58(69)44-26-18-11-19-27-44)53(74-57(68)43-24-16-10-17-25-43)52(73-56(67)42-22-14-9-15-23-42)47(72-59)38-70-55(66)41-20-12-8-13-21-41/h8-27,45-54,59,65H,1,28-39H2,2-7H3/t45-,46+,47+,48-,49+,50-,51+,52+,53-,54+,59+,61-,62+,63+,64+/m0/s1 |
| InChIKey | FRGYKLYOTJYPBO-JZUBRBFDSA-N |
| Mol Weight | 1021.3 g/mol |
| Molecular Formula | C64H76O11 |
| Exact Mass | 1020.538763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwmTxxQLgVM |
|---|---|
| Name | 28-O-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYLBETULIN |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H76O11 |
| InChI | InChI=1S/C64H76O11/c1-40(2)45-30-35-64(37-36-62(6)46(51(45)64)28-29-49-61(5)33-32-50(65)60(3,4)48(61)31-34-63(49,62)7)39-71-59-54(75-58(69)44-26-18-11-19-27-44)53(74-57(68)43-24-16-10-17-25-43)52(73-56(67)42-22-14-9-15-23-42)47(72-59)38-70-55(66)41-20-12-8-13-21-41/h8-27,45-54,59,65H,1,28-39H2,2-7H3/t45-,46+,47+,48-,49+,50-,51+,52+,53-,54+,59+,61-,62+,63+,64+/m0/s1 |
| InChIKey | FRGYKLYOTJYPBO-JZUBRBFDSA-N |
| Literature Reference Author | C.GAUTHIER,J.LEGAULT,S.LAVOIE,S.RONDEAU,S.TREMBLAY,A.PICHETT E |
| Literature Reference Citation | J.NAT.PROD.,72,72(2009) |
| Literature Reference DOI | 10.1021/np800579x |
| Molecular Weight | 1021.301 g/mol |
| Sample ID | 32008 |
| Solvent | CDCl3 |