| SpectraBase Compound ID | 7OaN03lBrXF |
|---|---|
| InChI | InChI=1S/C54H88O25/c1-20-29(59)32(62)35(65)45(72-20)78-40-34(64)31(61)24(18-56)74-47(40)76-38-37(67)39(44(70)71)77-48(41(38)79-46-36(66)33(63)30(60)23(17-55)73-46)75-28-12-13-51(6)25(50(28,4)5)11-14-52(7)26(51)10-9-21-22-15-49(2,3)42(68)43(69)54(22,19-57)27(58)16-53(21,52)8/h9,20,22-43,45-48,55-69H,10-19H2,1-8H3,(H,70,71)/t20-,22?,23-,24+,25?,26?,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37?,38-,39-,40+,41+,42-,43-,45-,46+,47-,48+,51-,52+,53+,54-/m0/s1 |
| InChIKey | RYALPQKRBGXULF-CWHNKBFHSA-N |
| Mol Weight | 1137.3 g/mol |
| Molecular Formula | C54H88O25 |
| Exact Mass | 1136.561468 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 39KSrFQEw4H |
|---|---|
| Name | DESACYL-JEGOSAPONIN;BARRINGTOGENOL-C-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURO |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H88O25 |
| InChI | InChI=1S/C54H88O25/c1-20-29(59)32(62)35(65)45(72-20)78-40-34(64)31(61)24(18-56)74-47(40)76-38-37(67)39(44(70)71)77-48(41(38)79-46-36(66)33(63)30(60)23(17-55)73-46)75-28-12-13-51(6)25(50(28,4)5)11-14-52(7)26(51)10-9-21-22-15-49(2,3)42(68)43(69)54(22,19-57)27(58)16-53(21,52)8/h9,20,22-43,45-48,55-69H,10-19H2,1-8H3,(H,70,71)/t20-,22?,23-,24+,25?,26?,27+,28-,29-,30-,31-,32+,33+,34-,35+,36-,37?,38-,39-,40+,41+,42-,43-,45-,46+,47-,48+,51-,52+,53+,54-/m0/s1 |
| InChIKey | RYALPQKRBGXULF-CWHNKBFHSA-N |
| Literature Reference Author | M.K.WANG,H.CAI,S.L.PENG,L.S.DING,F.E.WU,Y.Z.CHEN |
| Literature Reference Citation | PHYTOCHEM.,48,1411(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00850-9 |
| Molecular Weight | 1137.278 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1515 |