| SpectraBase Compound ID | AGAG6xq1fH0 |
|---|---|
| InChI | InChI=1S/C69H104O26/c1-33(71)42-21-24-69(79)67(42,8)50(90-51(74)18-17-39-15-13-12-14-16-39)31-49-66(7)22-20-41(25-40(66)19-23-68(49,69)78)88-54-28-45(80-9)63(36(4)85-54)94-56-29-46(81-10)62(37(5)86-56)93-53-27-44(73)60(34(2)84-53)91-52-26-43(72)61(35(3)83-52)92-55-30-47(82-11)64(38(6)87-55)95-65-59(77)58(76)57(75)48(32-70)89-65/h12-19,34-38,41-50,52-65,70,72-73,75-79H,20-32H2,1-11H3/b18-17+/t34-,35-,36+,37-,38+,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+/m0/s1 |
| InChIKey | LHVZRCYMCSSAMT-XFGXPGFOSA-N |
| Mol Weight | 1349.6 g/mol |
| Molecular Formula | C69H104O26 |
| Exact Mass | 1348.681583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 76ufDBasgZ6 |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CANAROPYRANOSYL-(1->4)-BETA-D-CYMA |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H104O26 |
| InChI | InChI=1S/C69H104O26/c1-33(71)42-21-24-69(79)67(42,8)50(90-51(74)18-17-39-15-13-12-14-16-39)31-49-66(7)22-20-41(25-40(66)19-23-68(49,69)78)88-54-28-45(80-9)63(36(4)85-54)94-56-29-46(81-10)62(37(5)86-56)93-53-27-44(73)60(34(2)84-53)91-52-26-43(72)61(35(3)83-52)92-55-30-47(82-11)64(38(6)87-55)95-65-59(77)58(76)57(75)48(32-70)89-65/h12-19,34-38,41-50,52-65,70,72-73,75-79H,20-32H2,1-11H3/b18-17+/t34-,35-,36+,37-,38+,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+/m0/s1 |
| InChIKey | LHVZRCYMCSSAMT-XFGXPGFOSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1017(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1017 |
| Molecular Weight | 1349.569 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4359 |