| SpectraBase Compound ID | 2k71Lz5noWa |
|---|---|
| InChI | InChI=1S/C91H96O19/c1-55(2)64-46-51-91(86(99)110-85-76(109-83(98)63-42-28-15-29-43-63)74(107-81(96)61-38-24-13-25-39-61)72(105-79(94)59-34-20-11-21-35-59)66(102-85)54-100-77(92)57-30-16-9-17-31-57)53-52-89(7)65(70(64)91)44-45-68-88(6)49-48-69(87(4,5)67(88)47-50-90(68,89)8)103-84-75(108-82(97)62-40-26-14-27-41-62)73(106-80(95)60-36-22-12-23-37-60)71(56(3)101-84)104-78(93)58-32-18-10-19-33-58/h9-43,56,64-76,84-85H,1,44-54H2,2-8H3/t56-,64-,65+,66+,67-,68+,69-,70+,71-,72+,73+,74-,75+,76+,84-,85-,88-,89+,90+,91-/m0/s1 |
| InChIKey | SYVAURVQFZDKED-KWYXIUQMSA-N |
| Mol Weight | 1493.7 g/mol |
| Molecular Formula | C91H96O19 |
| Exact Mass | 1492.654581 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | SBPOxmrZvL |
|---|---|
| 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-RHAMNOPYRANOSIDE |
| Compound Number | 18B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C91H96O19 |
| InChI | InChI=1S/C91H96O19/c1-55(2)64-46-51-91(86(99)110-85-76(109-83(98)63-42-28-15-29-43-63)74(107-81(96)61-38-24-13-25-39-61)72(105-79(94)59-34-20-11-21-35-59)66(102-85)54-100-77(92)57-30-16-9-17-31-57)53-52-89(7)65(70(64)91)44-45-68-88(6)49-48-69(87(4,5)67(88)47-50-90(68,89)8)103-84-75(108-82(97)62-40-26-14-27-41-62)73(106-80(95)60-36-22-12-23-37-60)71(56(3)101-84)104-78(93)58-32-18-10-19-33-58/h9-43,56,64-76,84-85H,1,44-54H2,2-8H3/t56-,64-,65+,66+,67-,68+,69-,70+,71-,72+,73+,74-,75+,76+,84-,85-,88-,89+,90+,91-/m0/s1 |
| InChIKey | SYVAURVQFZDKED-KWYXIUQMSA-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 | 1493.752 g/mol |
| Sample ID | 32011 |
| Solvent | CDCl3 |