| SpectraBase Compound ID | 61bms6glNEG |
|---|---|
| InChI | InChI=1S/C42H66O18/c1-19-36(60-38-35(50)33(48)31(46)26(59-38)18-55-37-34(49)32(47)30(45)25(16-43)58-37)24(53-4)15-29(56-19)57-22-6-9-39(2)21(14-22)5-11-41(51)27(39)8-10-40(3)23(7-12-42(40,41)52)20-13-28(44)54-17-20/h13,19,21-27,29-38,43,45-52H,5-12,14-18H2,1-4H3/t19-,21?,22?,23?,24-,25-,26-,27?,29+,30-,31?,32+,33?,34-,35?,36+,37-,38+,39+,40?,41?,42+/m0/s1 |
| InChIKey | FCLFABXEUQQISR-YTVCNTBDSA-N |
| Mol Weight | 859.0 g/mol |
| Molecular Formula | C42H66O18 |
| Exact Mass | 858.424915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2GvRpI3MirI |
|---|---|
| Name | 8beta-HYDROXYDIGITOXIGENIN beta-NERITRIOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H66O18 |
| InChI | InChI=1S/C42H66O18/c1-19-36(60-38-35(50)33(48)31(46)26(59-38)18-55-37-34(49)32(47)30(45)25(16-43)58-37)24(53-4)15-29(56-19)57-22-6-9-39(2)21(14-22)5-11-41(51)27(39)8-10-40(3)23(7-12-42(40,41)52)20-13-28(44)54-17-20/h13,19,21-27,29-38,43,45-52H,5-12,14-18H2,1-4H3/t19-,21?,22?,23?,24-,25-,26-,27?,29+,30-,31?,32+,33?,34-,35?,36+,37-,38+,39+,40?,41?,42+/m0/s1 |
| InChIKey | FCLFABXEUQQISR-YTVCNTBDSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |