| SpectraBase Compound ID | GvVHQZ2AIUR |
|---|---|
| InChI | InChI=1S/C55H88O26/c1-20-8-11-55(72-17-20)21(2)34-30(81-55)13-27-25-7-6-23-12-24(9-10-53(23,4)26(25)14-33(60)54(27,34)5)74-51-46(79-50-42(68)39(65)35(61)22(3)73-50)43(69)44(32(16-57)76-51)77-52-47(80-49-41(67)37(63)29(59)19-71-49)45(38(64)31(15-56)75-52)78-48-40(66)36(62)28(58)18-70-48/h20-32,34-52,56-59,61-69H,6-19H2,1-5H3/t20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54+,55-/m0/s1 |
| InChIKey | FUFWMYZFCUYUFQ-UMYFNXHGSA-N |
| Mol Weight | 1165.3 g/mol |
| Molecular Formula | C55H88O26 |
| Exact Mass | 1164.556383 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17vrXIDUpV4 |
|---|---|
| Name | #8;SAPONIN-3;3-O-[BETA-D-XYLOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->4)-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GALACTOPYRANOSY |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H88O26 |
| InChI | InChI=1S/C55H88O26/c1-20-8-11-55(72-17-20)21(2)34-30(81-55)13-27-25-7-6-23-12-24(9-10-53(23,4)26(25)14-33(60)54(27,34)5)74-51-46(79-50-42(68)39(65)35(61)22(3)73-50)43(69)44(32(16-57)76-51)77-52-47(80-49-41(67)37(63)29(59)19-71-49)45(38(64)31(15-56)75-52)78-48-40(66)36(62)28(58)18-70-48/h20-32,34-52,56-59,61-69H,6-19H2,1-5H3/t20-,21-,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+,32+,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44-,45-,46+,47+,48-,49-,50-,51+,52-,53-,54+,55-/m0/s1 |
| InChIKey | FUFWMYZFCUYUFQ-UMYFNXHGSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,W.BRANDT,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,35,1527(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)86890-9 |
| Molecular Weight | 1165.288 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU25290 |