| SpectraBase Compound ID | 6knNLZ2NN4g |
|---|---|
| InChI | InChI=1S/C49H82O19/c1-22-31(54)39(68-42-37(60)35(58)33(56)27(19-51)65-42)38(61)43(63-22)66-29-10-11-45(4)28(46(29,5)20-52)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-53)30(17-48(23,47)7)67-41-36(59)34(57)32(55)26(18-50)64-41/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 | GVLGJDVZELRZJU-XLAFFDATSA-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 | EerV5KLMZhH |
|---|---|
| Name | CLINOPOSAPONIN VII A |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C49H82O19 |
| InChI | InChI=1S/C49H82O19/c1-22-31(54)39(68-42-37(60)35(58)33(56)27(19-51)65-42)38(61)43(63-22)66-29-10-11-45(4)28(46(29,5)20-52)9-12-47(6)40(45)25(62-8)15-23-24-16-44(2,3)13-14-49(24,21-53)30(17-48(23,47)7)67-41-36(59)34(57)32(55)26(18-50)64-41/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 | GVLGJDVZELRZJU-XLAFFDATSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |