![#2;PYROLASIDE-B;5-5'-DEHYDRO-[(4-O-5'')-DEHYDRO-DI-(3-METHYL-4-HYDROXY-PHENYL-1-O-BETA-D-GLUCOPYRANOSIDE)]-(3-METHYL-4-HYDROXY-PHENYL-1-O-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/EN783ebR1Uo/structure.png?h=300&w=458 "#2;PYROLASIDE-B;5-5'-DEHYDRO-[(4-O-5'')-DEHYDRO-DI-(3-METHYL-4-HYDROXY-PHENYL-1-O-BETA-D-GLUCOPYRANOSIDE)]-(3-METHYL-4-HYDROXY-PHENYL-1-O-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | Eht6MZCqkYK |
|---|---|
| InChI | InChI=1S/C39H50O21/c1-13-4-16(54-37-33(51)30(48)27(45)22(10-40)58-37)7-19(25(13)43)20-8-17(55-38-34(52)31(49)28(46)23(11-41)59-38)6-15(3)36(20)57-21-9-18(5-14(2)26(21)44)56-39-35(53)32(50)29(47)24(12-42)60-39/h4-9,22-24,27-35,37-53H,10-12H2,1-3H3/t22-,23-,24-,27-,28-,29-,30+,31+,32+,33-,34-,35-,37-,38-,39-/m1/s1 |
| InChIKey | RASVJEQOJWZGLV-BFXGSULESA-N |
| Mol Weight | 854.8 g/mol |
| Molecular Formula | C39H50O21 |
| Exact Mass | 854.284459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EN783ebR1Uo |
|---|---|
| Name | #2;PYROLASIDE-B;5-5'-DEHYDRO-[(4-O-5'')-DEHYDRO-DI-(3-METHYL-4-HYDROXY-PHENYL-1-O-BETA-D-GLUCOPYRANOSIDE)]-(3-METHYL-4-HYDROXY-PHENYL-1-O-BETA-D-GLUCOPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H50O21 |
| InChI | InChI=1S/C39H50O21/c1-13-4-16(54-37-33(51)30(48)27(45)22(10-40)58-37)7-19(25(13)43)20-8-17(55-38-34(52)31(49)28(46)23(11-41)59-38)6-15(3)36(20)57-21-9-18(5-14(2)26(21)44)56-39-35(53)32(50)29(47)24(12-42)60-39/h4-9,22-24,27-35,37-53H,10-12H2,1-3H3/t22-,23-,24-,27-,28-,29-,30+,31+,32+,33-,34-,35-,37-,38-,39-/m1/s1 |
| InChIKey | RASVJEQOJWZGLV-BFXGSULESA-N |
| Literature Reference Author | J.CHANG,T.INUI |
| Literature Reference Citation | CHEM.PHARM.BULL.,53,1051(2005) |
| Literature Reference DOI | 10.1248/cpb.53.1051 |
| Molecular Weight | 854.813 g/mol |
| Sample ID | 54181 |
| Solvent | D2O |