| SpectraBase Compound ID | I5839rPEWdI |
|---|---|
| InChI | InChI=1S/C54H88O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,23,25-47,55-68H,9-22H2,1-7H3/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,50-,51-,52+,53+,54-/m1/s1 |
| InChIKey | ILKZUGRHLIZRQK-ZRFNYHIKSA-N |
| Mol Weight | 1105.3 g/mol |
| Molecular Formula | C54H88O23 |
| Exact Mass | 1104.571639 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EQv7X3AJitN |
|---|---|
| Name | 3-O-(beta-D-GLUCOPYRANOSYL)-HEDERAGENIN-28-O-(alpha-L-RHAMNOPYRANOSYL(1->4)-beta-D-GLUCOPYRANOSYL(1->6)-beta-D-GLUCOPYRANOSYL)ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C54H88O23 |
| InChI | InChI=1S/C54H88O23/c1-23-32(58)35(61)39(65)45(71-23)76-43-27(20-56)73-44(42(68)38(43)64)70-21-28-34(60)37(63)41(67)47(74-28)77-48(69)54-16-14-49(2,3)18-25(54)24-8-9-30-50(4)12-11-31(75-46-40(66)36(62)33(59)26(19-55)72-46)51(5,22-57)29(50)10-13-53(30,7)52(24,6)15-17-54/h8,23,25-47,55-68H,9-22H2,1-7H3/t23-,25?,26+,27+,28+,29?,30?,31-,32-,33+,34+,35+,36-,37-,38+,39+,40+,41+,42+,43+,44+,45-,46-,47-,50-,51-,52+,53+,54-/m1/s1 |
| InChIKey | ILKZUGRHLIZRQK-ZRFNYHIKSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |