| SpectraBase Compound ID | AQ15S0BM7M1 |
|---|---|
| InChI | InChI=1S/C42H64O18/c1-19-38(60-40-37(52)35(50)33(48)28(59-40)18-55-39-36(51)34(49)32(47)27(16-43)58-39)26(53-4)15-31(56-19)57-22-9-11-41(2)21(14-22)5-7-25(44)24(41)10-12-42(3)23(6-8-29(42)45)20-13-30(46)54-17-20/h6,13,19,21-22,24,26-29,31-40,43,45,47-52H,5,7-12,14-18H2,1-4H3/t19-,21?,22?,24?,26-,27-,28-,29?,31+,32-,33?,34+,35?,36-,37?,38+,39-,40+,41?,42?/m0/s1 |
| InChIKey | XZMUWDGNSJDSHY-MZPXZZPNSA-N |
| Mol Weight | 857.0 g/mol |
| Molecular Formula | C42H64O18 |
| Exact Mass | 856.409265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Adhu76IUVeY |
|---|---|
| Name | DELTA16-NERIAGENIN beta-NERITRIOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H64O18 |
| InChI | InChI=1S/C42H64O18/c1-19-38(60-40-37(52)35(50)33(48)28(59-40)18-55-39-36(51)34(49)32(47)27(16-43)58-39)26(53-4)15-31(56-19)57-22-9-11-41(2)21(14-22)5-7-25(44)24(41)10-12-42(3)23(6-8-29(42)45)20-13-30(46)54-17-20/h6,13,19,21-22,24,26-29,31-40,43,45,47-52H,5,7-12,14-18H2,1-4H3/t19-,21?,22?,24?,26-,27-,28-,29?,31+,32-,33?,34+,35?,36-,37?,38+,39-,40+,41?,42?/m0/s1 |
| InChIKey | XZMUWDGNSJDSHY-MZPXZZPNSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |