| SpectraBase Compound ID | HUIp6emc0T9 |
|---|---|
| InChI | InChI=1S/C40H68O17/c1-16(21(42)13-38(5,51)36(2,3)50)18-7-8-19-25-20(9-10-37(18,19)4)39(6)24(43)11-17(12-40(39,52)33-32(25)57-33)54-35-31(49)29(47)27(45)23(56-35)15-53-34-30(48)28(46)26(44)22(14-41)55-34/h16-35,41-52H,7-15H2,1-6H3/t16-,17-,18?,19?,20?,21-,22+,23+,24-,25?,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,37+,38?,39-,40-/m0/s1 |
| InChIKey | UJAPBFVIKLPNRH-ABKHJQMZSA-N |
| Mol Weight | 821.0 g/mol |
| Molecular Formula | C40H68O17 |
| Exact Mass | 820.445651 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ph6mJ9AW2y |
|---|---|
| Name | 24-EPIPETUNIOSIDE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H68O17 |
| InChI | InChI=1S/C40H68O17/c1-16(21(42)13-38(5,51)36(2,3)50)18-7-8-19-25-20(9-10-37(18,19)4)39(6)24(43)11-17(12-40(39,52)33-32(25)57-33)54-35-31(49)29(47)27(45)23(56-35)15-53-34-30(48)28(46)26(44)22(14-41)55-34/h16-35,41-52H,7-15H2,1-6H3/t16-,17-,18?,19?,20?,21-,22+,23+,24-,25?,26+,27+,28-,29-,30+,31+,32-,33-,34+,35+,37+,38?,39-,40-/m0/s1 |
| InChIKey | UJAPBFVIKLPNRH-ABKHJQMZSA-N |
| Literature Reference Author | K.SHINGU,H.FUJII,K.MIZUKI,I.UEDA,S.YAHARA,T.NOHARA |
| Literature Reference Citation | PHYTOCHEM.,36,1307(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89657-0 |
| Molecular Weight | 820.970 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU26321 |