| SpectraBase Compound ID | KijnF2IuzQ4 |
|---|---|
| InChI | InChI=1S/C49H78O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-27,29-39,41-43,50-51,53-59H,11-21H2,1-9H3/t22-,24?,25+,26?,27?,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45+,46-,47+,48+,49+/m0/s1 |
| InChIKey | UAQSFFPZBWPNOO-LMWBJGLASA-N |
| Mol Weight | 955.1 g/mol |
| Molecular Formula | C49H78O18 |
| Exact Mass | 954.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hm0sgtyOiWR |
|---|---|
| Name | DEHYDROAZUKISAPONIN-V-METHYLESTER;3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONOPYRANOSYL-SOYASAPOGENOL-E-METHYLE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H78O18 |
| InChI | InChI=1S/C49H78O18/c1-22-30(53)32(55)36(59)41(62-22)66-38-33(56)31(54)25(20-50)63-42(38)67-39-35(58)34(57)37(40(60)61-9)65-43(39)64-29-13-14-46(5)26(47(29,6)21-51)12-15-49(8)27(46)11-10-23-24-18-44(2,3)19-28(52)45(24,4)16-17-48(23,49)7/h10,22,24-27,29-39,41-43,50-51,53-59H,11-21H2,1-9H3/t22-,24?,25+,26?,27?,29-,30-,31+,32+,33-,34-,35-,36+,37-,38+,39+,41-,42-,43+,45+,46-,47+,48+,49+/m0/s1 |
| InChIKey | UAQSFFPZBWPNOO-LMWBJGLASA-N |
| Literature Reference Author | K.M.MOHAMED,K.OHTANI,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,40,1237(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00430-F |
| Molecular Weight | 955.148 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS2833 |