| SpectraBase Compound ID | 9JX7CKXBAvc |
|---|---|
| InChI | InChI=1S/C47H72O20/c1-20-41(65-36-15-31(56-7)43(22(3)61-36)67-45-40(53)39(52)38(51)32(17-48)64-45)27(49)13-34(59-20)66-42-21(2)60-35(14-30(42)55-6)62-29-12-24-9-10-25-26(46(24,4)16-28(29)50)11-8-23-18-57-47(5)37(23)33(19-58-47)63-44(25)54/h9,18,20-22,25-43,45,48-53H,8,10-17,19H2,1-7H3/t20-,21+,22+,25?,26?,27+,28?,29?,30+,31+,32-,33-,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,45+,46?,47+/m1/s1 |
| InChIKey | PNOYMYGRNNZTRO-GUASMBACSA-N |
| Mol Weight | 957.1 g/mol |
| Molecular Formula | C47H72O20 |
| Exact Mass | 956.461695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ITSO0NjHG6n |
|---|---|
| Name | HIRUNDIGOSIDE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H72O20 |
| InChI | InChI=1S/C47H72O20/c1-20-41(65-36-15-31(56-7)43(22(3)61-36)67-45-40(53)39(52)38(51)32(17-48)64-45)27(49)13-34(59-20)66-42-21(2)60-35(14-30(42)55-6)62-29-12-24-9-10-25-26(46(24,4)16-28(29)50)11-8-23-18-57-47(5)37(23)33(19-58-47)63-44(25)54/h9,18,20-22,25-43,45,48-53H,8,10-17,19H2,1-7H3/t20-,21+,22+,25?,26?,27+,28?,29?,30+,31+,32-,33-,34+,35-,36-,37-,38-,39+,40-,41-,42+,43+,45+,46?,47+/m1/s1 |
| InChIKey | PNOYMYGRNNZTRO-GUASMBACSA-N |
| Literature Reference Author | M.LAVAULT,P.RICHOMME,J.BRUNETON |
| Literature Reference Citation | FITOTERAPIA,70,216(1999) |
| Literature Reference DOI | 10.1016/S0367-326X(99)00023-4 |
| Molecular Weight | 957.077 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3735 |