| SpectraBase Compound ID | GDeAs3KkLbo |
|---|---|
| InChI | InChI=1S/C45H49NO17/c1-22(47)55-21-41-42(59-26(5)51)43(60-27(6)52)44(61-28(7)53)45(63-41)62-40-20-34-31(18-39(40)58-25(4)50)16-36-33-19-37(54-8)38(57-24(3)49)17-30(33)13-14-46(36)35(34)15-29-9-11-32(12-10-29)56-23(2)48/h9-12,17-20,35-36,41-45H,13-16,21H2,1-8H3/t35-,36?,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | XDYLPKPKCCYHGJ-SOMIIVBMSA-N |
| Mol Weight | 875.9 g/mol |
| Molecular Formula | C45H49NO17 |
| Exact Mass | 875.300049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LIV7H22FXX |
|---|---|
| Name | (-)-3,11-DIACETOXY-8alpha-(4'-ACETOXYBENZYL)-10-O-(beta-GLUCOPYRANOSYLTETRAACETATE)-2-METHOXYBERBINE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C45H49NO17 |
| InChI | InChI=1S/C45H49NO17/c1-22(47)55-21-41-42(59-26(5)51)43(60-27(6)52)44(61-28(7)53)45(63-41)62-40-20-34-31(18-39(40)58-25(4)50)16-36-33-19-37(54-8)38(57-24(3)49)17-30(33)13-14-46(36)35(34)15-29-9-11-32(12-10-29)56-23(2)48/h9-12,17-20,35-36,41-45H,13-16,21H2,1-8H3/t35-,36?,41-,42-,43+,44-,45-/m0/s1 |
| InChIKey | XDYLPKPKCCYHGJ-SOMIIVBMSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |