| SpectraBase Compound ID | AcePq18w79S |
|---|---|
| InChI | InChI=1S/C49H82O19/c1-22-31(55)38(67-41-36(60)34(58)32(56)26(18-50)64-41)39(68-42-37(61)35(59)33(57)27(19-51)65-42)43(63-22)66-30-10-11-45(4)28(46(30,5)20-52)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-53)29(54)17-48(23,47)7/h15,22,24-43,50-61H,9-14,16-21H2,1-8H3/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38+,39-,40+,41+,42-,43+,45-,46-,47+,48+,49+/m0/s1 |
| InChIKey | OZPOGANASPSVJC-UHGNDDBASA-N |
| Mol Weight | 975.2 g/mol |
| Molecular Formula | C49H82O19 |
| Exact Mass | 974.54503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LH6R2l9QWn |
|---|---|
| Name | BUDDLEJASAPONIN-IV-A |
| Compound Number | 2A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H82O19 |
| InChI | InChI=1S/C49H82O19/c1-22-31(55)38(67-41-36(60)34(58)32(56)26(18-50)64-41)39(68-42-37(61)35(59)33(57)27(19-51)65-42)43(63-22)66-30-10-11-45(4)28(46(30,5)20-52)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-53)29(54)17-48(23,47)7/h15,22,24-43,50-61H,9-14,16-21H2,1-8H3/t22-,24-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-,36-,37+,38+,39-,40+,41+,42-,43+,45-,46-,47+,48+,49+/m0/s1 |
| InChIKey | OZPOGANASPSVJC-UHGNDDBASA-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 | 975.179 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU7348 |