| SpectraBase Compound ID | 43DEFODSJjy |
|---|---|
| InChI | InChI=1S/C42H62O17/c1-19-36(58-38-35(50)33(48)31(46)26(57-38)18-53-37-34(49)32(47)30(45)25(16-43)56-37)24(51-4)15-29(54-19)55-22-6-9-39(2)21(14-22)5-11-41-27(39)8-10-40(3)23(7-12-42(40,41)59-41)20-13-28(44)52-17-20/h7,13,19,21-22,24-27,29-38,43,45-50H,5-6,8-12,14-18H2,1-4H3/t19-,21?,22?,24+,25-,26-,27?,29+,30-,31?,32+,33?,34-,35?,36+,37-,38+,39?,40?,41?,42?/m0/s1 |
| InChIKey | DVFXEUYOOYUTOA-BFYAGJOQSA-N |
| Mol Weight | 838.9 g/mol |
| Molecular Formula | C42H62O17 |
| Exact Mass | 838.398701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Kpf6eYtyzl |
|---|---|
| Name | DELTA16-ADYNERIGENIN beta-GENTIOBIOSYL-beta-D-SARMENTOSIDE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H62O17 |
| InChI | InChI=1S/C42H62O17/c1-19-36(58-38-35(50)33(48)31(46)26(57-38)18-53-37-34(49)32(47)30(45)25(16-43)56-37)24(51-4)15-29(54-19)55-22-6-9-39(2)21(14-22)5-11-41-27(39)8-10-40(3)23(7-12-42(40,41)59-41)20-13-28(44)52-17-20/h7,13,19,21-22,24-27,29-38,43,45-50H,5-6,8-12,14-18H2,1-4H3/t19-,21?,22?,24+,25-,26-,27?,29+,30-,31?,32+,33?,34-,35?,36+,37-,38+,39?,40?,41?,42?/m0/s1 |
| InChIKey | DVFXEUYOOYUTOA-BFYAGJOQSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |