| SpectraBase Compound ID | 1Bg2wJRQyjG |
|---|---|
| InChI | InChI=1S/C54H86O24/c1-21-31(60)34(63)37(66)45(71-21)77-42-36(65)33(62)25(19-56)73-47(42)75-40-39(68)41(44(69)70)76-48(43(40)78-46-38(67)35(64)32(61)24(18-55)72-46)74-30-12-13-51(6)26(50(30,4)5)11-14-52(7)27(51)10-9-22-23-15-49(2,3)28(58)17-54(23,20-57)29(59)16-53(22,52)8/h9,21,23-27,29-43,45-48,55-57,59-68H,10-20H2,1-8H3,(H,69,70)/t21-,23?,24-,25+,26?,27?,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 | HLZYVASYICMONG-XRNKCBTPSA-N |
| Mol Weight | 1119.3 g/mol |
| Molecular Formula | C54H86O24 |
| Exact Mass | 1118.550904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KACa8uL1TMz |
|---|---|
| Name | BERNEUXIA-SAPONIN-C;ARMILLARIGENIN-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSYL-(1->3)-[BETA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-GLUCURONO |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H86O24 |
| InChI | InChI=1S/C54H86O24/c1-21-31(60)34(63)37(66)45(71-21)77-42-36(65)33(62)25(19-56)73-47(42)75-40-39(68)41(44(69)70)76-48(43(40)78-46-38(67)35(64)32(61)24(18-55)72-46)74-30-12-13-51(6)26(50(30,4)5)11-14-52(7)27(51)10-9-22-23-15-49(2,3)28(58)17-54(23,20-57)29(59)16-53(22,52)8/h9,21,23-27,29-43,45-48,55-57,59-68H,10-20H2,1-8H3,(H,69,70)/t21-,23?,24-,25+,26?,27?,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 | HLZYVASYICMONG-XRNKCBTPSA-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 | 1119.262 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS1513 |