| SpectraBase Compound ID | Th5boxRrCv |
|---|---|
| InChI | InChI=1S/C57H72O9/c1-35(2)40-26-31-57(34-58)33-32-55(7)41(45(40)57)24-25-43-54(6)29-28-44(53(4,5)42(54)27-30-56(43,55)8)63-52-48(66-51(61)39-22-16-11-17-23-39)47(65-50(60)38-20-14-10-15-21-38)46(36(3)62-52)64-49(59)37-18-12-9-13-19-37/h9-23,36,40-48,52,58H,1,24-34H2,2-8H3/t36-,40-,41+,42-,43+,44-,45+,46-,47+,48+,52-,54-,55+,56+,57+/m0/s1 |
| InChIKey | HVHLPTLJSPZFSK-MURJDFHVSA-N |
| Mol Weight | 901.2 g/mol |
| Molecular Formula | C57H72O9 |
| Exact Mass | 900.517634 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 460gtz1qtgy |
|---|---|
| Name | BETULIN_3-BETA-O-2,3,4-TRI-O-BENZOYL-ALPHA-L-RHAMNOPYRANOSIDE |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H72O9 |
| InChI | InChI=1S/C57H72O9/c1-35(2)40-26-31-57(34-58)33-32-55(7)41(45(40)57)24-25-43-54(6)29-28-44(53(4,5)42(54)27-30-56(43,55)8)63-52-48(66-51(61)39-22-16-11-17-23-39)47(65-50(60)38-20-14-10-15-21-38)46(36(3)62-52)64-49(59)37-18-12-9-13-19-37/h9-23,36,40-48,52,58H,1,24-34H2,2-8H3/t36-,40-,41+,42-,43+,44-,45+,46-,47+,48+,52-,54-,55+,56+,57+/m0/s1 |
| InChIKey | HVHLPTLJSPZFSK-MURJDFHVSA-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 | 901.193 g/mol |
| Sample ID | 32004 |
| Solvent | CDCl3 |