| SpectraBase Compound ID | 3gxDPz4gMSk |
|---|---|
| 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-ONPXWOABSA-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 | B4AG3LRKOL |
|---|---|
| Name | BUDDLEJASAPONIN IV A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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-ONPXWOABSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |