| SpectraBase Compound ID | 1VHgHmhWYRW |
|---|---|
| InChI | InChI=1S/C42H62O18/c1-18-34(59-37-32(50)30(48)28(46)24(58-37)17-54-36-31(49)29(47)27(45)23(15-43)57-36)35(52-4)33(51)38(55-18)56-21-6-9-39(2)20(14-21)5-11-41-25(39)8-10-40(3)22(7-12-42(40,41)60-41)19-13-26(44)53-16-19/h7,13,18,20-21,23-25,27-38,43,45-51H,5-6,8-12,14-17H2,1-4H3/t18-,20?,21?,23-,24-,25?,27-,28?,29+,30?,31-,32?,33?,34+,35-,36-,37+,38+,39?,40?,41?,42?/m0/s1 |
| InChIKey | NSNKLWJSOIANEV-CLVMJWAISA-N |
| Mol Weight | 854.9 g/mol |
| Molecular Formula | C42H62O18 |
| Exact Mass | 854.393615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ALPbw45agk2 |
|---|---|
| Name | DELTA16-ADYNERIGENIN beta-ODOROTRIOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H62O18 |
| InChI | InChI=1S/C42H62O18/c1-18-34(59-37-32(50)30(48)28(46)24(58-37)17-54-36-31(49)29(47)27(45)23(15-43)57-36)35(52-4)33(51)38(55-18)56-21-6-9-39(2)20(14-21)5-11-41-25(39)8-10-40(3)22(7-12-42(40,41)60-41)19-13-26(44)53-16-19/h7,13,18,20-21,23-25,27-38,43,45-51H,5-6,8-12,14-17H2,1-4H3/t18-,20?,21?,23-,24-,25?,27-,28?,29+,30?,31-,32?,33?,34+,35-,36-,37+,38+,39?,40?,41?,42?/m0/s1 |
| InChIKey | NSNKLWJSOIANEV-CLVMJWAISA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |