| SpectraBase Compound ID | 6BkbS9q83q1 |
|---|---|
| InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)77-43-25(58)17-50(4)29(51(43,5)21-57)10-11-53(7)30(50)9-8-23-24-16-49(2,3)12-14-54(24,15-13-52(23,53)6)48(70)78-47-42(76-46-41(69)37(65)33(61)27(19-56)74-46)38(66)34(62)28(75-47)20-71-44-39(67)36(64)32(60)26(18-55)73-44/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,50-,51-,52+,53+,54-/m1/s1 |
| InChIKey | SYMQRSSMAQAOCK-AYKMOKJNSA-N |
| Mol Weight | 1121.3 g/mol |
| Molecular Formula | C54H88O24 |
| Exact Mass | 1120.566554 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KDIrZ5IoNLo |
|---|---|
| Name | BELLISSAPONIN BS7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H88O24 |
| InChI | InChI=1S/C54H88O24/c1-22-31(59)35(63)40(68)45(72-22)77-43-25(58)17-50(4)29(51(43,5)21-57)10-11-53(7)30(50)9-8-23-24-16-49(2,3)12-14-54(24,15-13-52(23,53)6)48(70)78-47-42(76-46-41(69)37(65)33(61)27(19-56)74-46)38(66)34(62)28(75-47)20-71-44-39(67)36(64)32(60)26(18-55)73-44/h8,22,24-47,55-69H,9-21H2,1-7H3/t22-,24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,50-,51-,52+,53+,54-/m1/s1 |
| InChIKey | SYMQRSSMAQAOCK-AYKMOKJNSA-N |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |