| SpectraBase Compound ID | G0uxgg7Dc1l |
|---|---|
| InChI | InChI=1S/C43H50O19/c1-21-35(58-29(47)15-9-23-5-11-25(52-3)12-6-23)37(59-30(48)16-10-24-7-13-26(53-4)14-8-24)38(56-22(2)46)42(55-21)60-36-27-17-18-54-40(31(27)43(20-45)39(36)62-43)61-41-34(51)33(50)32(49)28(19-44)57-41/h5-18,21,27-28,31-42,44-45,49-51H,19-20H2,1-4H3/b15-9+,16-10+/t21-,27-,28+,31-,32+,33-,34+,35-,36+,37+,38+,39+,40+,41-,42-,43-/m1/s1 |
| InChIKey | BUIPMVNSPLYJFB-GAQNYQDNSA-N |
| Mol Weight | 870.9 g/mol |
| Molecular Formula | C43H50O19 |
| Exact Mass | 870.294629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 73e46dPAkjq |
|---|---|
| Name | SCROPHULOSIDE-A4 |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H50O19 |
| InChI | InChI=1S/C43H50O19/c1-21-35(58-29(47)15-9-23-5-11-25(52-3)12-6-23)37(59-30(48)16-10-24-7-13-26(53-4)14-8-24)38(56-22(2)46)42(55-21)60-36-27-17-18-54-40(31(27)43(20-45)39(36)62-43)61-41-34(51)33(50)32(49)28(19-44)57-41/h5-18,21,27-28,31-42,44-45,49-51H,19-20H2,1-4H3/b15-9+,16-10+/t21-,27-,28+,31-,32+,33-,34+,35-,36+,37+,38+,39+,40+,41-,42-,43-/m1/s1 |
| InChIKey | BUIPMVNSPLYJFB-GAQNYQDNSA-N |
| Literature Reference Author | T.MIYASE,A.MIMATSU |
| Literature Reference Citation | J.NAT.PROD.,62,1079(1999) |
| Literature Reference DOI | 10.1021/np9805746 |
| Molecular Weight | 870.859 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP8755 |