| SpectraBase Compound ID | 2ZfUJvA1Dp2 |
|---|---|
| InChI | InChI=1S/C53H86O19/c1-12-25(2)48(59)71-46-29(6)67-50(43(58)47(46)63-11)72-45-28(5)65-39(23-36(45)62-10)70-44-27(4)64-38(22-35(44)61-9)68-31-15-18-51(7)30(21-31)13-14-34-33(51)16-19-52(8)32(17-20-53(34,52)60)26(3)66-49-42(57)41(56)40(55)37(24-54)69-49/h12-13,26-29,31-47,49-50,54-58,60H,14-24H2,1-11H3/b25-12+/t26-,27+,28-,29+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40-,41+,42-,43+,44+,45-,46+,47+,49-,50-,51-,52+,53-/m0/s1 |
| InChIKey | BMUIUHOILPNATE-CZVVPAGTSA-N |
| Mol Weight | 1027.3 g/mol |
| Molecular Formula | C53H86O19 |
| Exact Mass | 1026.576331 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJ7scVfKwz |
|---|---|
| Name | #7;HOODIGOSIDE-Z;CALOGENIN-20-O-BETA-D-GLUCOPYRANOSYL-3-O-BETA-(4-O-TIGLOYL)-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O19 |
| InChI | InChI=1S/C53H86O19/c1-12-25(2)48(59)71-46-29(6)67-50(43(58)47(46)63-11)72-45-28(5)65-39(23-36(45)62-10)70-44-27(4)64-38(22-35(44)61-9)68-31-15-18-51(7)30(21-31)13-14-34-33(51)16-19-52(8)32(17-20-53(34,52)60)26(3)66-49-42(57)41(56)40(55)37(24-54)69-49/h12-13,26-29,31-47,49-50,54-58,60H,14-24H2,1-11H3/b25-12+/t26-,27+,28-,29+,31-,32+,33-,34+,35-,36+,37-,38-,39+,40-,41+,42-,43+,44+,45-,46+,47+,49-,50-,51-,52+,53-/m0/s1 |
| InChIKey | BMUIUHOILPNATE-CZVVPAGTSA-N |
| Literature Reference Author | Y.J.SHUKLA,R.S.PAWAR,Y.DING,X.C.LI,D.FERREIRA,I.A.KHAN |
| Literature Reference Citation | PHYTOCHEM.,70,675(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2009.02.006 |
| Molecular Weight | 1027.254 g/mol |
| Sample ID | 64651 |
| Solvent | C5D5N |