| SpectraBase Compound ID | GTudWh2BLEv |
|---|---|
| InChI | InChI=1S/C76H124O29/c1-35(2)36(3)25-56(79)99-55-33-54-73(11)22-20-45(26-44(73)19-23-75(54,83)76(84)24-21-46(37(4)78)74(55,76)12)97-57-27-47(85-13)66(38(5)91-57)100-58-28-48(86-14)67(39(6)92-58)101-59-29-49(87-15)68(40(7)93-59)102-60-30-50(88-16)69(41(8)94-60)103-61-31-51(89-17)70(42(9)95-61)104-62-32-52(90-18)71(43(10)96-62)105-72-65(82)64(81)63(80)53(34-77)98-72/h19,25,35,38-43,45-55,57-72,77,80-84H,20-24,26-34H2,1-18H3/b36-25+/t38-,39+,40-,41+,42-,43+,45+,46+,47+,48-,49-,50+,51+,52-,53-,54-,55-,57+,58-,59+,60-,61+,62-,63-,64+,65-,66-,67+,68-,69+,70-,71?,72+,73+,74+,75+,76-/m1/s1 |
| InChIKey | VKWPNBFKUHKZCW-JUUAIINESA-N |
| Mol Weight | 1501.8 g/mol |
| Molecular Formula | C76H124O29 |
| Exact Mass | 1500.822828 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjxvfUg3pMA |
|---|---|
| Name | CYNANCHOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)- |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H124O29 |
| InChI | InChI=1S/C76H124O29/c1-35(2)36(3)25-56(79)99-55-33-54-73(11)22-20-45(26-44(73)19-23-75(54,83)76(84)24-21-46(37(4)78)74(55,76)12)97-57-27-47(85-13)66(38(5)91-57)100-58-28-48(86-14)67(39(6)92-58)101-59-29-49(87-15)68(40(7)93-59)102-60-30-50(88-16)69(41(8)94-60)103-61-31-51(89-17)70(42(9)95-61)104-62-32-52(90-18)71(43(10)96-62)105-72-65(82)64(81)63(80)53(34-77)98-72/h19,25,35,38-43,45-55,57-72,77,80-84H,20-24,26-34H2,1-18H3/b36-25+/t38-,39+,40-,41+,42-,43+,45+,46+,47+,48-,49-,50+,51+,52-,53-,54-,55-,57+,58-,59+,60-,61+,62-,63-,64+,65-,66-,67+,68-,69+,70-,71?,72+,73+,74+,75+,76-/m1/s1 |
| InChIKey | VKWPNBFKUHKZCW-JUUAIINESA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,44,917(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00640-1 |
| Molecular Weight | 1501.803 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA342 |