| SpectraBase Compound ID | EhznuXypoiW |
|---|---|
| InChI | InChI=1S/C90H94O19/c1-55(2)63-45-50-90(85(98)109-84-75(108-82(97)62-41-27-14-28-42-62)73(106-80(95)60-37-23-12-24-38-60)71(104-78(93)58-33-19-10-20-34-58)66(102-84)53-99-76(91)56-29-15-8-16-30-56)52-51-88(6)64(70(63)90)43-44-68-87(5)48-47-69(86(3,4)67(87)46-49-89(68,88)7)103-83-74(107-81(96)61-39-25-13-26-40-61)72(105-79(94)59-35-21-11-22-36-59)65(54-100-83)101-77(92)57-31-17-9-18-32-57/h8-42,63-75,83-84H,1,43-54H2,2-7H3/t63-,64+,65-,66+,67-,68+,69-,70+,71+,72-,73-,74+,75+,83-,84-,87-,88+,89+,90-/m0/s1 |
| InChIKey | AQPJRZRJBSQSBE-SZLTWRNJSA-N |
| Mol Weight | 1479.7 g/mol |
| Molecular Formula | C90H94O19 |
| Exact Mass | 1478.638931 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HiLHK1YSe3n |
|---|---|
| Name | 28-O-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYLBETULINIC_ACID_3-BETA-O-2,3,4-TRI-O-BENZOYL-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 18A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H94O19 |
| InChI | InChI=1S/C90H94O19/c1-55(2)63-45-50-90(85(98)109-84-75(108-82(97)62-41-27-14-28-42-62)73(106-80(95)60-37-23-12-24-38-60)71(104-78(93)58-33-19-10-20-34-58)66(102-84)53-99-76(91)56-29-15-8-16-30-56)52-51-88(6)64(70(63)90)43-44-68-87(5)48-47-69(86(3,4)67(87)46-49-89(68,88)7)103-83-74(107-81(96)61-39-25-13-26-40-61)72(105-79(94)59-35-21-11-22-36-59)65(54-100-83)101-77(92)57-31-17-9-18-32-57/h8-42,63-75,83-84H,1,43-54H2,2-7H3/t63-,64+,65-,66+,67-,68+,69-,70+,71+,72-,73-,74+,75+,83-,84-,87-,88+,89+,90-/m0/s1 |
| InChIKey | AQPJRZRJBSQSBE-SZLTWRNJSA-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 | 1479.725 g/mol |
| Sample ID | 32010 |
| Solvent | CDCl3 |