| SpectraBase Compound ID | Ktg9ckOrAy8 |
|---|---|
| InChI | InChI=1S/C64H96O24/c1-31(66)39-21-24-64(73)62(39,7)45(84-46(67)18-17-36-15-13-12-14-16-36)29-44-61(6)22-20-38(25-37(61)19-23-63(44,64)72)82-47-26-40(74-8)54(32(2)78-47)85-48-27-41(75-9)55(33(3)79-48)86-49-28-42(76-10)56(34(4)80-49)87-60-53(71)58(77-11)57(35(5)81-60)88-59-52(70)51(69)50(68)43(30-65)83-59/h12-19,32-35,38-45,47-60,65,68-73H,20-30H2,1-11H3/b18-17+/t32-,33+,34-,35+,38+,39+,40+,41-,42-,43-,44-,45-,47+,48-,49+,50-,51+,52-,53+,54-,55+,56-,57+,58+,59+,60-,61+,62+,63+,64-/m1/s1 |
| InChIKey | PTZVNFKHSBUFQS-GEMAMSPMSA-N |
| Mol Weight | 1249.4 g/mol |
| Molecular Formula | C64H96O24 |
| Exact Mass | 1248.629154 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | z3zsB9gIRr |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-THEVETOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BE |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C64H96O24 |
| InChI | InChI=1S/C64H96O24/c1-31(66)39-21-24-64(73)62(39,7)45(84-46(67)18-17-36-15-13-12-14-16-36)29-44-61(6)22-20-38(25-37(61)19-23-63(44,64)72)82-47-26-40(74-8)54(32(2)78-47)85-48-27-41(75-9)55(33(3)79-48)86-49-28-42(76-10)56(34(4)80-49)87-60-53(71)58(77-11)57(35(5)81-60)88-59-52(70)51(69)50(68)43(30-65)83-59/h12-19,32-35,38-45,47-60,65,68-73H,20-30H2,1-11H3/b18-17+/t32-,33+,34-,35+,38+,39+,40+,41-,42-,43-,44-,45-,47+,48-,49+,50-,51+,52-,53+,54-,55+,56-,57+,58+,59+,60-,61+,62+,63+,64-/m1/s1 |
| InChIKey | PTZVNFKHSBUFQS-GEMAMSPMSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1249.452 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5043 |