| SpectraBase Compound ID | lVlO5Yn6jf |
|---|---|
| InChI | InChI=1S/C49H80O17/c1-24(50)31-14-17-49(54)47(31,7)37(51)23-36-46(6)15-13-30(18-29(46)12-16-48(36,49)53)63-38-20-33(56-9)43(26(3)60-38)65-40-22-35(58-11)45(28(5)62-40)66-41-21-34(57-10)44(27(4)61-41)64-39-19-32(55-8)42(52)25(2)59-39/h12,25-28,30-45,51-54H,13-23H2,1-11H3/t25-,26+,27+,28-,30-,31-,32-,33-,34+,35+,36?,37+,38-,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49+/m0/s1 |
| InChIKey | TZGJOUJTBYDSOX-JEBHTLEWSA-N |
| Mol Weight | 941.2 g/mol |
| Molecular Formula | C49H80O17 |
| Exact Mass | 940.539551 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WcclFsboPg |
|---|---|
| Name | LINEOLON-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSIDE |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C49H80O17 |
| InChI | InChI=1S/C49H80O17/c1-24(50)31-14-17-49(54)47(31,7)37(51)23-36-46(6)15-13-30(18-29(46)12-16-48(36,49)53)63-38-20-33(56-9)43(26(3)60-38)65-40-22-35(58-11)45(28(5)62-40)66-41-21-34(57-10)44(27(4)61-41)64-39-19-32(55-8)42(52)25(2)59-39/h12,25-28,30-45,51-54H,13-23H2,1-11H3/t25-,26+,27+,28-,30-,31-,32-,33-,34+,35+,36?,37+,38-,39+,40+,41-,42-,43+,44+,45-,46-,47-,48-,49+/m0/s1 |
| InChIKey | TZGJOUJTBYDSOX-JEBHTLEWSA-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 | 941.164 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN4363 |