| SpectraBase Compound ID | 3tsIzVQDEib |
|---|---|
| InChI | InChI=1S/C56H90O19/c1-27(2)28(3)21-42(58)72-41-26-40-53(9)18-16-35(22-34(53)15-19-55(40,61)56(62)20-17-36(29(4)57)54(41,56)10)71-43-23-37(63-11)48(31(6)67-43)73-44-24-38(64-12)49(32(7)68-44)74-45-25-39(65-13)50(33(8)69-45)75-52-47(60)51(66-14)46(59)30(5)70-52/h15,21,27,30-33,35-41,43-52,59-62H,16-20,22-26H2,1-14H3/b28-21+/t30?,31?,32?,33?,35-,36-,37-,38+,39-,40+,41+,43-,44+,45-,46-,47-,48+,49-,50+,51+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | AYXWWRAVVDSOLC-AKUGSVDVSA-N |
| Mol Weight | 1067.3 g/mol |
| Molecular Formula | C56H90O19 |
| Exact Mass | 1066.607631 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EP6khMtix6H |
|---|---|
| Name | CYNANCHOGENIN-3-O-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O19 |
| InChI | InChI=1S/C56H90O19/c1-27(2)28(3)21-42(58)72-41-26-40-53(9)18-16-35(22-34(53)15-19-55(40,61)56(62)20-17-36(29(4)57)54(41,56)10)71-43-23-37(63-11)48(31(6)67-43)73-44-24-38(64-12)49(32(7)68-44)74-45-25-39(65-13)50(33(8)69-45)75-52-47(60)51(66-14)46(59)30(5)70-52/h15,21,27,30-33,35-41,43-52,59-62H,16-20,22-26H2,1-14H3/b28-21+/t30?,31?,32?,33?,35-,36-,37-,38+,39-,40+,41+,43-,44+,45-,46-,47-,48+,49-,50+,51+,52+,53-,54-,55-,56+/m0/s1 |
| InChIKey | AYXWWRAVVDSOLC-AKUGSVDVSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,51,1036(2003) |
| Literature Reference DOI | 10.1248/cpb.51.1036 |
| Molecular Weight | 1067.319 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU20262 |