| SpectraBase Compound ID | F5EufrGz8id |
|---|---|
| InChI | InChI=1S/C71H108O26/c1-35(73)44-23-26-71(79)69(44,8)52(92-53(74)20-19-41-17-15-14-16-18-41)33-51-68(7)24-22-43(27-42(68)21-25-70(51,71)78)90-54-28-45(80-9)62(36(2)85-54)93-55-29-46(81-10)63(37(3)86-55)94-56-30-47(82-11)64(38(4)87-56)95-57-31-48(83-12)65(39(5)88-57)96-58-32-49(84-13)66(40(6)89-58)97-67-61(77)60(76)59(75)50(34-72)91-67/h14-21,36-40,43-52,54-67,72,75-79H,22-34H2,1-13H3/b20-19+/t36-,37+,38-,39+,40-,43+,44+,45+,46-,47-,48+,49+,50+,51-,52-,54+,55-,56+,57-,58+,59+,60-,61+,62-,63+,64-,65+,66-,67-,68+,69+,70+,71-/m1/s1 |
| InChIKey | PECHRMYNWNDOFH-JFSGQEHQSA-N |
| Mol Weight | 1377.6 g/mol |
| Molecular Formula | C71H108O26 |
| Exact Mass | 1376.712884 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fbCWxLqe5 |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CY |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H108O26 |
| InChI | InChI=1S/C71H108O26/c1-35(73)44-23-26-71(79)69(44,8)52(92-53(74)20-19-41-17-15-14-16-18-41)33-51-68(7)24-22-43(27-42(68)21-25-70(51,71)78)90-54-28-45(80-9)62(36(2)85-54)93-55-29-46(81-10)63(37(3)86-55)94-56-30-47(82-11)64(38(4)87-56)95-57-31-48(83-12)65(39(5)88-57)96-58-32-49(84-13)66(40(6)89-58)97-67-61(77)60(76)59(75)50(34-72)91-67/h14-21,36-40,43-52,54-67,72,75-79H,22-34H2,1-13H3/b20-19+/t36-,37+,38-,39+,40-,43+,44+,45+,46-,47-,48+,49+,50+,51-,52-,54+,55-,56+,57-,58+,59+,60-,61+,62-,63+,64-,65+,66-,67-,68+,69+,70+,71-/m1/s1 |
| InChIKey | PECHRMYNWNDOFH-JFSGQEHQSA-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 | 1377.623 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4357 |