| SpectraBase Compound ID | TEilNVMGA0 |
|---|---|
| InChI | InChI=1S/C53H86O23/c1-22-32(58)35(61)39(65)45(71-22)75-42-26(18-54)72-43(41(67)37(42)63)70-20-27-34(60)36(62)40(66)46(73-27)76-47(68)53-15-14-48(2,3)16-24(53)23-8-9-29-49(4)12-11-31(74-44-38(64)33(59)25(56)19-69-44)50(5,21-55)28(49)10-13-51(29,6)52(23,7)17-30(53)57/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24?,25-,26-,27-,28?,29?,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44-,45-,46+,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | RCCIGUCOKOWWHR-PLAVVIRGSA-N |
| Mol Weight | 1091.2 g/mol |
| Molecular Formula | C53H86O23 |
| Exact Mass | 1090.555989 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GBgzhZIIg1e |
|---|---|
| Name | LEONTICIN-D;3-O-ALPHA-L-ARABINOPYRANOSYL-CAULOPHYLLOGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O23 |
| InChI | InChI=1S/C53H86O23/c1-22-32(58)35(61)39(65)45(71-22)75-42-26(18-54)72-43(41(67)37(42)63)70-20-27-34(60)36(62)40(66)46(73-27)76-47(68)53-15-14-48(2,3)16-24(53)23-8-9-29-49(4)12-11-31(74-44-38(64)33(59)25(56)19-69-44)50(5,21-55)28(49)10-13-51(29,6)52(23,7)17-30(53)57/h8,22,24-46,54-67H,9-21H2,1-7H3/t22-,24?,25-,26-,27-,28?,29?,30+,31-,32-,33-,34-,35+,36+,37-,38+,39+,40-,41-,42-,43-,44-,45-,46+,49-,50-,51+,52+,53+/m0/s1 |
| InChIKey | RCCIGUCOKOWWHR-PLAVVIRGSA-N |
| Literature Reference Author | M.CHEN,W.W.WU,D.NANZ,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,44,497(1997) |
| Literature Reference DOI | 10.1016/S0031-9422(96)00546-8 |
| Molecular Weight | 1091.252 g/mol |
| Solvent | C5D5N:CD3OD |
| Source File Reference | UWPA145 |