| SpectraBase Compound ID | 1IFFWFBBNel |
|---|---|
| InChI | InChI=1S/C50H78O18/c1-24-34(55)39(67-41-36(57)38(65-26(3)53)30(22-62-41)64-25(2)52)37(58)42(63-24)68-40-35(56)29(54)21-61-43(40)66-33-13-14-46(6)31(47(33,7)23-51)12-15-49(9)32(46)11-10-27-28-20-45(4,5)16-18-50(28,44(59)60)19-17-48(27,49)8/h10,24,28-43,51,54-58H,11-23H2,1-9H3,(H,59,60)/t24-,28?,29-,30-,31?,32?,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43-,46-,47-,48+,49+,50-/m0/s1 |
| InChIKey | YWTUZIXCNQDLDQ-YFMQMHFMSA-N |
| Mol Weight | 967.2 g/mol |
| Molecular Formula | C50H78O18 |
| Exact Mass | 966.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7icbDaqwoz |
|---|---|
| Name | HEDERAGENIN-3-O-(3,4-DI-O-ACETYL-ALPHA-L-ARABINOPYRANOSYL)-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H78O18 |
| InChI | InChI=1S/C50H78O18/c1-24-34(55)39(67-41-36(57)38(65-26(3)53)30(22-62-41)64-25(2)52)37(58)42(63-24)68-40-35(56)29(54)21-61-43(40)66-33-13-14-46(6)31(47(33,7)23-51)12-15-49(9)32(46)11-10-27-28-20-45(4,5)16-18-50(28,44(59)60)19-17-48(27,49)8/h10,24,28-43,51,54-58H,11-23H2,1-9H3,(H,59,60)/t24-,28?,29-,30-,31?,32?,33-,34-,35-,36+,37+,38-,39+,40+,41-,42-,43-,46-,47-,48+,49+,50-/m0/s1 |
| InChIKey | YWTUZIXCNQDLDQ-YFMQMHFMSA-N |
| Literature Reference Author | K.KOJIMA,X.B.ZHU,Y.OGIHARA |
| Literature Reference Citation | PHYTOCHEM.,48,885(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00977-1 |
| Molecular Weight | 967.159 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1266 |