| SpectraBase Compound ID | B7o6v79wrCT |
|---|---|
| InChI | InChI=1S/C48H78O18/c1-22-30(53)37(65-39-35(58)33(56)31(54)23(18-49)62-39)38(66-40-36(59)34(57)32(55)24(19-50)63-40)41(61-22)64-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-60-48)28(52)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38-,39+,40-,41+,43-,44-,45+,46-,47+,48-/m0/s1 |
| InChIKey | IRJDRINEGANBIK-QKRWGUBBSA-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 | Lu1anR1k47B |
|---|---|
| Name | BUDDLEJASAPONIN-IV |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O18 |
| InChI | InChI=1S/C48H78O18/c1-22-30(53)37(65-39-35(58)33(56)31(54)23(18-49)62-39)38(66-40-36(59)34(57)32(55)24(19-50)63-40)41(61-22)64-29-10-11-43(4)25(44(29,5)20-51)8-12-45(6)26(43)9-13-48-27-16-42(2,3)14-15-47(27,21-60-48)28(52)17-46(45,48)7/h9,13,22-41,49-59H,8,10-12,14-21H2,1-7H3/t22-,23-,24+,25+,26+,27+,28-,29-,30+,31-,32+,33+,34-,35-,36+,37+,38-,39+,40-,41+,43-,44-,45+,46-,47+,48-/m0/s1 |
| InChIKey | IRJDRINEGANBIK-QKRWGUBBSA-N |
| Literature Reference Author | A.YAMAMOTO,H.SUZUKI,T.MIYASE,A.UENO,T.MAEDA |
| Literature Reference Citation | PHYTOCHEM.,34,485(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)80035-Q |
| Molecular Weight | 943.137 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU7343 |