| SpectraBase Compound ID | AtSpIcNHamI |
|---|---|
| InChI | InChI=1S/C57H92O21/c1-27(58)36-16-19-57(63)55(36,9)43(73-33(7)59)26-42-54(8)17-15-35(20-34(54)14-18-56(42,57)62)74-44-21-37(60)50(29(3)69-44)75-46-23-39(65-11)52(30(4)70-46)77-48-25-41(67-13)53(32(6)72-48)78-47-24-40(66-12)51(31(5)71-47)76-45-22-38(64-10)49(61)28(2)68-45/h14,28-32,35-53,60-63H,15-26H2,1-13H3/t28-,29+,30+,31+,32-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,49-,50+,51+,52+,53-,54+,55+,56+,57-/m1/s1 |
| InChIKey | GJHXVQHRCVXALH-XWMAWKINSA-N |
| Mol Weight | 1113.3 g/mol |
| Molecular Formula | C57H92O21 |
| Exact Mass | 1112.61311 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZHSxPF4FFp |
|---|---|
| Name | 12-O-ACETYLLINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANO |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H92O21 |
| InChI | InChI=1S/C57H92O21/c1-27(58)36-16-19-57(63)55(36,9)43(73-33(7)59)26-42-54(8)17-15-35(20-34(54)14-18-56(42,57)62)74-44-21-37(60)50(29(3)69-44)75-46-23-39(65-11)52(30(4)70-46)77-48-25-41(67-13)53(32(6)72-48)78-47-24-40(66-12)51(31(5)71-47)76-45-22-38(64-10)49(61)28(2)68-45/h14,28-32,35-53,60-63H,15-26H2,1-13H3/t28-,29+,30+,31+,32-,35+,36+,37+,38-,39+,40-,41-,42-,43-,44-,45+,46-,47-,48+,49-,50+,51+,52+,53-,54+,55+,56+,57-/m1/s1 |
| InChIKey | GJHXVQHRCVXALH-XWMAWKINSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,99(2000) |
| Literature Reference DOI | 10.1248/cpb.48.99 |
| Molecular Weight | 1113.345 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4817 |