| SpectraBase Compound ID | LUtYpC7cvmY |
|---|---|
| InChI | InChI=1S/C64H74O12/c1-39(2)44-30-35-64(37-36-62(6)45(50(44)64)28-29-48-61(5)33-32-49(65)60(3,4)47(61)31-34-63(48,62)7)59(70)76-58-53(75-57(69)43-26-18-11-19-27-43)52(74-56(68)42-24-16-10-17-25-42)51(73-55(67)41-22-14-9-15-23-41)46(72-58)38-71-54(66)40-20-12-8-13-21-40/h8-27,44-53,58,65H,1,28-38H2,2-7H3/t44-,45+,46+,47-,48+,49-,50+,51+,52-,53+,58-,61-,62+,63+,64-/m0/s1 |
| InChIKey | WRJFCPMBDUIFLG-JFTLSOKDSA-N |
| Mol Weight | 1035.3 g/mol |
| Molecular Formula | C64H74O12 |
| Exact Mass | 1034.518028 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lho6KlUoOoi |
|---|---|
| Name | 28-O-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYLBETULINIC_ACID |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H74O12 |
| InChI | InChI=1S/C64H74O12/c1-39(2)44-30-35-64(37-36-62(6)45(50(44)64)28-29-48-61(5)33-32-49(65)60(3,4)47(61)31-34-63(48,62)7)59(70)76-58-53(75-57(69)43-26-18-11-19-27-43)52(74-56(68)42-24-16-10-17-25-42)51(73-55(67)41-22-14-9-15-23-41)46(72-58)38-71-54(66)40-20-12-8-13-21-40/h8-27,44-53,58,65H,1,28-38H2,2-7H3/t44-,45+,46+,47-,48+,49-,50+,51+,52-,53+,58-,61-,62+,63+,64-/m0/s1 |
| InChIKey | WRJFCPMBDUIFLG-JFTLSOKDSA-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 | 1035.284 g/mol |
| Sample ID | 32009 |
| Solvent | CDCl3 |