| SpectraBase Compound ID | 6AgWteVSgSj |
|---|---|
| InChI | InChI=1S/C90H96O18/c1-56(2)64-45-50-90(55-100-85-76(108-83(97)63-41-27-14-28-42-63)74(106-81(95)61-37-23-12-24-38-61)72(104-79(93)59-33-19-10-20-34-59)67(102-85)53-98-77(91)57-29-15-8-16-30-57)52-51-88(6)65(71(64)90)43-44-69-87(5)48-47-70(86(3,4)68(87)46-49-89(69,88)7)103-84-75(107-82(96)62-39-25-13-26-40-62)73(105-80(94)60-35-21-11-22-36-60)66(54-99-84)101-78(92)58-31-17-9-18-32-58/h8-42,64-76,84-85H,1,43-55H2,2-7H3/t64-,65+,66-,67+,68-,69+,70-,71+,72+,73-,74-,75+,76+,84-,85+,87-,88+,89+,90+/m0/s1 |
| InChIKey | QJEBWKZTSXAPKW-PYIZDREKSA-N |
| Mol Weight | 1465.7 g/mol |
| Molecular Formula | C90H96O18 |
| Exact Mass | 1464.659666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BaKVz9kOqGE |
|---|---|
| Name | 28-O-2,3,4,6-TETRA-O-BENZOYL-BETA-D-GLUCOPYRANOSYLBETULIN_3-BETA-O-2,3,4-TRI-O-BENZOYL-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 10A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H96O18 |
| InChI | InChI=1S/C90H96O18/c1-56(2)64-45-50-90(55-100-85-76(108-83(97)63-41-27-14-28-42-63)74(106-81(95)61-37-23-12-24-38-61)72(104-79(93)59-33-19-10-20-34-59)67(102-85)53-98-77(91)57-29-15-8-16-30-57)52-51-88(6)65(71(64)90)43-44-69-87(5)48-47-70(86(3,4)68(87)46-49-89(69,88)7)103-84-75(107-82(96)62-39-25-13-26-40-62)73(105-80(94)60-35-21-11-22-36-60)66(54-99-84)101-78(92)58-31-17-9-18-32-58/h8-42,64-76,84-85H,1,43-55H2,2-7H3/t64-,65+,66-,67+,68-,69+,70-,71+,72+,73-,74-,75+,76+,84-,85+,87-,88+,89+,90+/m0/s1 |
| InChIKey | QJEBWKZTSXAPKW-PYIZDREKSA-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 | 1465.741 g/mol |
| Sample ID | 32005 |
| Solvent | CDCl3 |