| SpectraBase Compound ID | 3ikJ8zeTtLx |
|---|---|
| InChI | InChI=1S/C57H86O21/c1-27(59)35-19-21-57(65)36-17-16-33-22-34(18-20-55(33,6)44(36)51(52(56(35,57)7)72-31(5)60)77-53(64)32-14-12-11-13-15-32)73-41-23-37(66-8)48(28(2)69-41)75-42-24-38(67-9)49(29(3)70-42)76-43-25-39(68-10)50(30(4)71-43)78-54-47(63)46(62)45(61)40(26-58)74-54/h11-15,28-30,33-52,54,58,61-63,65H,16-26H2,1-10H3/t28-,29+,30+,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49+,50+,51+,52-,54-,55+,56+,57+/m1/s1 |
| InChIKey | AHCSRDKUTSDDDN-XJUYPMPPSA-N |
| Mol Weight | 1107.3 g/mol |
| Molecular Formula | C57H86O21 |
| Exact Mass | 1106.56616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3IjZlgIubx |
|---|---|
| Name | CYNAFOSIDE-A;CYNAFOGENINE-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-ALPHA-L-CYMAROPYRANOSYL-(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 | C57H86O21 |
| InChI | InChI=1S/C57H86O21/c1-27(59)35-19-21-57(65)36-17-16-33-22-34(18-20-55(33,6)44(36)51(52(56(35,57)7)72-31(5)60)77-53(64)32-14-12-11-13-15-32)73-41-23-37(66-8)48(28(2)69-41)75-42-24-38(67-9)49(29(3)70-42)76-43-25-39(68-10)50(30(4)71-43)78-54-47(63)46(62)45(61)40(26-58)74-54/h11-15,28-30,33-52,54,58,61-63,65H,16-26H2,1-10H3/t28-,29+,30+,33+,34+,35-,36-,37+,38-,39-,40+,41+,42-,43+,44-,45+,46-,47+,48-,49+,50+,51+,52-,54-,55+,56+,57+/m1/s1 |
| InChIKey | AHCSRDKUTSDDDN-XJUYPMPPSA-N |
| Literature Reference Author | S.TSUKAMOTO,K.HAYASHI,H.MITSUHASHI,F.O.SNYCKERS,T.G.FOURIE |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,4807(1985) |
| Literature Reference DOI | 10.1248/cpb.33.4807 |
| Molecular Weight | 1107.297 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWED7092 |