| SpectraBase Compound ID | CChRR9Neqhi |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-20(2)22-9-14-48(16-15-46(7)23(29(22)48)17-24(50)39-45(6)12-11-28(51)44(4,5)27(45)10-13-47(39,46)8)43(60)66-42-36(58)33(55)31(53)26(64-42)19-61-40-37(59)34(56)38(25(18-49)63-40)65-41-35(57)32(54)30(52)21(3)62-41/h21-42,49-59H,1,9-19H2,2-8H3/t21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,45+,46-,47-,48+/m1/s1 |
| InChIKey | PRIVMLKLQLQDPB-MDMKWKRPSA-N |
| Mol Weight | 943.1 g/mol |
| Molecular Formula | C48H78O18 |
| Exact Mass | 942.518816 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GyZIpm3tCUe |
|---|---|
| Name | ACANTRIFOSIDE-A;3-ALPHA,11-ALPHA-DIHYDROXY-LUP-20(29)-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOP |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-20(2)22-9-14-48(16-15-46(7)23(29(22)48)17-24(50)39-45(6)12-11-28(51)44(4,5)27(45)10-13-47(39,46)8)43(60)66-42-36(58)33(55)31(53)26(64-42)19-61-40-37(59)34(56)38(25(18-49)63-40)65-41-35(57)32(54)30(52)21(3)62-41/h21-42,49-59H,1,9-19H2,2-8H3/t21-,22+,23-,24-,25-,26-,27+,28-,29-,30+,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,45+,46-,47-,48+/m1/s1 |
| InChIKey | PRIVMLKLQLQDPB-MDMKWKRPSA-N |
| Literature Reference Author | C.S.YOOK,I.H.KIM,D.R.HAHN,T.NOHARA,S.Y.CHANG |
| Literature Reference Citation | PHYTOCHEM.,49,839(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00846-7 |
| Molecular Weight | 943.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU349 |