| SpectraBase Compound ID | 12iQENpZrez |
|---|---|
| InChI | InChI=1S/C52H74O20/c1-25-14-19-51(62-22-25)26(2)52(71-33(9)59)41(72-51)21-38-36-13-12-34-20-35(15-17-49(34,10)37(36)16-18-50(38,52)11)68-48-46(67-32(8)58)44(65-30(6)56)42(40(69-48)23-60-27(3)53)70-47-45(66-31(7)57)43(64-29(5)55)39(24-61-47)63-28(4)54/h12,25-26,35-48H,13-24H2,1-11H3/t25?,26?,35?,36-,37-,38-,39?,40+,41?,42?,43?,44-,45?,46+,47?,48?,49-,50+,51?,52?/m0/s1 |
| InChIKey | UYJWPHBFSZLQID-KSAHUHBFSA-N |
| Mol Weight | 1019.1 g/mol |
| Molecular Formula | C52H74O20 |
| Exact Mass | 1018.477345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSX4esrwYKg |
|---|---|
| Name | Pennogenin-3-O.alpha.-L-arabinopyranosyl-(1-4).beta.-D-glucopyranosid-peracetat |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C52H74O20 |
| InChI | InChI=1S/C52H74O20/c1-25-14-19-51(62-22-25)26(2)52(71-33(9)59)41(72-51)21-38-36-13-12-34-20-35(15-17-49(34,10)37(36)16-18-50(38,52)11)68-48-46(67-32(8)58)44(65-30(6)56)42(40(69-48)23-60-27(3)53)70-47-45(66-31(7)57)43(64-29(5)55)39(24-61-47)63-28(4)54/h12,25-26,35-48H,13-24H2,1-11H3/t25?,26?,35?,36-,37-,38-,39?,40+,41?,42?,43?,44-,45?,46+,47?,48?,49-,50+,51?,52?/m0/s1 |
| InChIKey | UYJWPHBFSZLQID-KSAHUHBFSA-N |
| Literature Reference | Phytochem. 24, 2479 (1985). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |