| SpectraBase Compound ID | 4SdrSWbkPQ3 |
|---|---|
| InChI | InChI=1S/C69H112O26/c1-32(2)33(3)23-51(72)90-50-30-49-66(10)20-18-41(24-40(66)17-21-68(49,76)69(77)22-19-42(34(4)71)67(50,69)11)88-52-25-43(78-12)60(35(5)83-52)91-53-26-44(79-13)61(36(6)84-53)92-54-27-45(80-14)62(37(7)85-54)93-55-28-46(81-15)63(38(8)86-55)94-56-29-47(82-16)64(39(9)87-56)95-65-59(75)58(74)57(73)48(31-70)89-65/h17,23,32,35-39,41-50,52-65,70,73-77H,18-22,24-31H2,1-16H3/b33-23+/t35-,36+,37-,38+,39-,41+,42+,43+,44-,45-,46+,47+,48+,49-,50-,52+,53-,54+,55-,56+,57+,58-,59+,60-,61+,62-,63+,64-,65-,66+,67+,68+,69-/m1/s1 |
| InChIKey | ALJUNHWVMQUHOW-FTOVLBNSSA-N |
| Mol Weight | 1357.6 g/mol |
| Molecular Formula | C69H112O26 |
| Exact Mass | 1356.744184 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTg1atzRF48 |
|---|---|
| Name | CYNANCHOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4) |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H112O26 |
| InChI | InChI=1S/C69H112O26/c1-32(2)33(3)23-51(72)90-50-30-49-66(10)20-18-41(24-40(66)17-21-68(49,76)69(77)22-19-42(34(4)71)67(50,69)11)88-52-25-43(78-12)60(35(5)83-52)91-53-26-44(79-13)61(36(6)84-53)92-54-27-45(80-14)62(37(7)85-54)93-55-28-46(81-15)63(38(8)86-55)94-56-29-47(82-16)64(39(9)87-56)95-65-59(75)58(74)57(73)48(31-70)89-65/h17,23,32,35-39,41-50,52-65,70,73-77H,18-22,24-31H2,1-16H3/b33-23+/t35-,36+,37-,38+,39-,41+,42+,43+,44-,45-,46+,47+,48+,49-,50-,52+,53-,54+,55-,56+,57+,58-,59+,60-,61+,62-,63+,64-,65-,66+,67+,68+,69-/m1/s1 |
| InChIKey | ALJUNHWVMQUHOW-FTOVLBNSSA-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 | 1357.633 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA335 |