| SpectraBase Compound ID | DHOrutE7ruZ |
|---|---|
| InChI | InChI=1S/C47H78O16/c1-22(2)18-33(48)57-23(3)29-15-17-47(53)30-13-12-27-19-28(14-16-45(27,7)36(30)38(50)43(52)46(29,47)8)61-34-20-31(54-9)40(25(5)58-34)62-35-21-32(55-10)41(26(6)59-35)63-44-39(51)42(56-11)37(49)24(4)60-44/h12,22-26,28-32,34-44,49-53H,13-21H2,1-11H3/t23?,24-,25-,26+,28+,29-,30-,31+,32-,34+,35-,36-,37-,38+,39-,40-,41+,42-,43-,44+,45+,46+,47+/m1/s1 |
| InChIKey | NTSGYDDIPBNHSN-SYGNTQLESA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C47H78O16 |
| Exact Mass | 898.528986 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8zxjd2tHrS |
|---|---|
| Name | DREBYSSOGENIN-K(2)-3-O-3-O-METHYL-6-DEOXY-BETA-D-ALLOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H78O16 |
| InChI | InChI=1S/C47H78O16/c1-22(2)18-33(48)57-23(3)29-15-17-47(53)30-13-12-27-19-28(14-16-45(27,7)36(30)38(50)43(52)46(29,47)8)61-34-20-31(54-9)40(25(5)58-34)62-35-21-32(55-10)41(26(6)59-35)63-44-39(51)42(56-11)37(49)24(4)60-44/h12,22-26,28-32,34-44,49-53H,13-21H2,1-11H3/t23?,24-,25-,26+,28+,29-,30-,31+,32-,34+,35-,36-,37-,38+,39-,40-,41+,42-,43-,44+,45+,46+,47+/m1/s1 |
| InChIKey | NTSGYDDIPBNHSN-SYGNTQLESA-N |
| Literature Reference Author | S.I.YOSHIMURA,H.NARITA,K.HAYASHI,H.MITSUHASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,3971(1983) |
| Literature Reference DOI | 10.1248/cpb.31.3971 |
| Molecular Weight | 899.127 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK1194 |