| SpectraBase Compound ID | 3dWCZHYRvyk |
|---|---|
| InChI | InChI=1S/C50H80O21/c1-22(53)65-19-27-32(56)35(59)38(62)42(68-27)70-40-25(54)17-46(4)29(47(40,5)21-52)10-11-49(7)30(46)9-8-23-24-16-45(2,3)12-14-50(24,15-13-48(23,49)6)44(64)71-43-39(63)36(60)33(57)28(69-43)20-66-41-37(61)34(58)31(55)26(18-51)67-41/h8,24-43,51-52,54-63H,9-21H2,1-7H3/t24?,25-,26+,27+,28+,29?,30?,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,46-,47-,48+,49+,50-/m0/s1 |
| InChIKey | BLHYNFKSXOMESY-XGXRWEOESA-N |
| Mol Weight | 1017.2 g/mol |
| Molecular Formula | C50H80O21 |
| Exact Mass | 1016.51921 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7Ui49Z2oy3K |
|---|---|
| Name | ASTERBATANOSIDE-E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O21 |
| InChI | InChI=1S/C50H80O21/c1-22(53)65-19-27-32(56)35(59)38(62)42(68-27)70-40-25(54)17-46(4)29(47(40,5)21-52)10-11-49(7)30(46)9-8-23-24-16-45(2,3)12-14-50(24,15-13-48(23,49)6)44(64)71-43-39(63)36(60)33(57)28(69-43)20-66-41-37(61)34(58)31(55)26(18-51)67-41/h8,24-43,51-52,54-63H,9-21H2,1-7H3/t24?,25-,26+,27+,28+,29?,30?,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41+,42-,43-,46-,47-,48+,49+,50-/m0/s1 |
| InChIKey | BLHYNFKSXOMESY-XGXRWEOESA-N |
| Literature Reference Author | Y.SHAO,B.-N.ZHOU,K.MA,H.-M.WU |
| Literature Reference Citation | PLANTA.MED.,61,246(1995) |
| Literature Reference DOI | 10.1055/s-2006-958065 |
| Molecular Weight | 1017.173 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UIAP690 |