| SpectraBase Compound ID | 6tOahR3OiCz |
|---|---|
| InChI | InChI=1S/C66H78O12/c1-41(2)47-31-36-66(38-37-64(7)48(53(47)66)29-30-51-63(6)34-33-52(74-42(3)67)62(4,5)50(63)32-35-65(51,64)8)40-73-61-56(78-60(71)46-27-19-12-20-28-46)55(77-59(70)45-25-17-11-18-26-45)54(76-58(69)44-23-15-10-16-24-44)49(75-61)39-72-57(68)43-21-13-9-14-22-43/h9-28,47-56,61H,1,29-40H2,2-8H3/t47-,48+,49+,50-,51+,52-,53+,54+,55-,56+,61+,63-,64+,65+,66+/m0/s1 |
| InChIKey | CIEINSBDCUEJMB-RVCOPZFISA-N |
| Mol Weight | 1063.3 g/mol |
| Molecular Formula | C66H78O12 |
| Exact Mass | 1062.549328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4LzXHq4O5rg |
|---|---|
| Name | 28-O-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYLBETULIN_3-ACETATE |
| Compound Number | 14 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C66H78O12 |
| InChI | InChI=1S/C66H78O12/c1-41(2)47-31-36-66(38-37-64(7)48(53(47)66)29-30-51-63(6)34-33-52(74-42(3)67)62(4,5)50(63)32-35-65(51,64)8)40-73-61-56(78-60(71)46-27-19-12-20-28-46)55(77-59(70)45-25-17-11-18-26-45)54(76-58(69)44-23-15-10-16-24-44)49(75-61)39-72-57(68)43-21-13-9-14-22-43/h9-28,47-56,61H,1,29-40H2,2-8H3/t47-,48+,49+,50-,51+,52-,53+,54+,55-,56+,61+,63-,64+,65+,66+/m0/s1 |
| InChIKey | CIEINSBDCUEJMB-RVCOPZFISA-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 | 1063.338 g/mol |
| Sample ID | 32007 |
| Solvent | CDCl3 |