| SpectraBase Compound ID | DMCgIKebIjj |
|---|---|
| InChI | InChI=1S/C65H98O21/c1-34(66)43-23-26-65(70)63(43,8)50(82-51(67)20-19-40-17-15-14-16-18-40)33-49-62(7)24-22-42(27-41(62)21-25-64(49,65)69)81-52-29-45(72-10)58(36(3)77-52)84-54-31-47(74-12)60(38(5)79-54)86-56-32-48(75-13)61(39(6)80-56)85-55-30-46(73-11)59(37(4)78-55)83-53-28-44(71-9)57(68)35(2)76-53/h14-21,35-39,42-50,52-61,68-70H,22-33H2,1-13H3/b20-19+/t35-,36-,37+,38+,39-,42+,43+,44+,45+,46+,47-,48-,49-,50-,52+,53+,54-,55-,56+,57-,58-,59+,60+,61-,62+,63+,64+,65-/m1/s1 |
| InChIKey | APVJQCIAMNGDGR-UGFRWXAYSA-N |
| Mol Weight | 1215.5 g/mol |
| Molecular Formula | C65H98O21 |
| Exact Mass | 1214.66006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMzhJs7sfVj |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-BETA-D-CYMAROPYRANOSIDE;#6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H98O21 |
| InChI | InChI=1S/C65H98O21/c1-34(66)43-23-26-65(70)63(43,8)50(82-51(67)20-19-40-17-15-14-16-18-40)33-49-62(7)24-22-42(27-41(62)21-25-64(49,65)69)81-52-29-45(72-10)58(36(3)77-52)84-54-31-47(74-12)60(38(5)79-54)86-56-32-48(75-13)61(39(6)80-56)85-55-30-46(73-11)59(37(4)78-55)83-53-28-44(71-9)57(68)35(2)76-53/h14-21,35-39,42-50,52-61,68-70H,22-33H2,1-13H3/b20-19+/t35-,36-,37+,38+,39-,42+,43+,44+,45+,46+,47-,48-,49-,50-,52+,53+,54-,55-,56+,57-,58-,59+,60+,61-,62+,63+,64+,65-/m1/s1 |
| InChIKey | APVJQCIAMNGDGR-UGFRWXAYSA-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 | 1215.481 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4356 |