| SpectraBase Compound ID | 1TksfF0Jqid |
|---|---|
| InChI | InChI=1S/C63H94O25/c1-30(66)37-19-22-63(74)61(37,6)44(84-45(67)16-15-34-13-11-10-12-14-34)27-43-60(5)20-18-36(23-35(60)17-21-62(43,63)73)81-46-24-38(75-7)54(31(2)78-46)85-47-25-39(76-8)55(32(3)79-47)86-48-26-40(77-9)56(33(4)80-48)87-59-53(72)51(70)57(42(29-65)83-59)88-58-52(71)50(69)49(68)41(28-64)82-58/h10-17,31-33,36-44,46-59,64-65,68-74H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47-,48+,49-,50+,51+,52-,53+,54-,55+,56-,57+,58+,59-,60+,61+,62+,63-/m1/s1 |
| InChIKey | BHNSNEIANOWKJE-SSYXHIKJSA-N |
| Mol Weight | 1251.4 g/mol |
| Molecular Formula | C63H94O25 |
| Exact Mass | 1250.608419 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8HneByVlGHL |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-CELLOBIOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O25 |
| InChI | InChI=1S/C63H94O25/c1-30(66)37-19-22-63(74)61(37,6)44(84-45(67)16-15-34-13-11-10-12-14-34)27-43-60(5)20-18-36(23-35(60)17-21-62(43,63)73)81-46-24-38(75-7)54(31(2)78-46)85-47-25-39(76-8)55(32(3)79-47)86-48-26-40(77-9)56(33(4)80-48)87-59-53(72)51(70)57(42(29-65)83-59)88-58-52(71)50(69)49(68)41(28-64)82-58/h10-17,31-33,36-44,46-59,64-65,68-74H,18-29H2,1-9H3/b16-15+/t31-,32+,33-,36+,37+,38+,39-,40-,41-,42+,43-,44-,46+,47-,48+,49-,50+,51+,52-,53+,54-,55+,56-,57+,58+,59-,60+,61+,62+,63-/m1/s1 |
| InChIKey | BHNSNEIANOWKJE-SSYXHIKJSA-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 | 1251.424 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4360 |