| SpectraBase Compound ID | 5JTL8jyI4HB |
|---|---|
| InChI | InChI=1S/C56H70O9/c1-35(2)39-25-30-56(34-57)32-31-54(6)40(45(39)56)23-24-43-53(5)28-27-44(52(3,4)42(53)26-29-55(43,54)7)63-51-47(65-50(60)38-21-15-10-16-22-38)46(64-49(59)37-19-13-9-14-20-37)41(33-61-51)62-48(58)36-17-11-8-12-18-36/h8-22,39-47,51,57H,1,23-34H2,2-7H3/t39-,40+,41-,42-,43+,44-,45+,46-,47+,51-,53-,54+,55+,56+/m0/s1 |
| InChIKey | KQCPLWDHFADJFW-CJMGXEMRSA-N |
| Mol Weight | 887.2 g/mol |
| Molecular Formula | C56H70O9 |
| Exact Mass | 886.501984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTjokiIz7W4 |
|---|---|
| Name | BETULIN_3-BETA-O-2,3,4-TRI-O-BENZOYL-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H70O9 |
| InChI | InChI=1S/C56H70O9/c1-35(2)39-25-30-56(34-57)32-31-54(6)40(45(39)56)23-24-43-53(5)28-27-44(52(3,4)42(53)26-29-55(43,54)7)63-51-47(65-50(60)38-21-15-10-16-22-38)46(64-49(59)37-19-13-9-14-20-37)41(33-61-51)62-48(58)36-17-11-8-12-18-36/h8-22,39-47,51,57H,1,23-34H2,2-7H3/t39-,40+,41-,42-,43+,44-,45+,46-,47+,51-,53-,54+,55+,56+/m0/s1 |
| InChIKey | KQCPLWDHFADJFW-CJMGXEMRSA-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 | 887.166 g/mol |
| Sample ID | 32003 |
| Solvent | CDCl3 |