| SpectraBase Compound ID | JmtY9rvas9K |
|---|---|
| InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h5,19-20,22-47,51-63H,6-18H2,1-4H3/t19?,20-,22?,23?,24?,25+,26+,27+,28?,29-,30+,31+,32?,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47-,48-,49-,50+/m0/s1 |
| InChIKey | XVPVVWNZAJAPLF-JHOJLIHZSA-N |
| Mol Weight | 1049.2 g/mol |
| Molecular Formula | C50H80O23 |
| Exact Mass | 1048.509039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8hHxpmSQugH |
|---|---|
| Name | (25S)-LILAGENIN_3-O-BETA-GLUCOPYRANOSYL-(1->2)-[BETA-XYLOPYRANOSYL-(1->3)]-BETA-GLUCOPYRANOSYL-(1->4)-BETA-GALACTOPYRANOSIDE |
| Compound Number | 4B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H80O23 |
| InChI | InChI=1S/C50H80O23/c1-19-7-10-50(65-17-19)20(2)32-28(73-50)12-24-22-6-5-21-11-27(25(54)13-49(21,4)23(22)8-9-48(24,32)3)66-45-40(63)37(60)41(31(16-53)69-45)70-47-43(72-46-39(62)36(59)34(57)29(14-51)67-46)42(35(58)30(15-52)68-47)71-44-38(61)33(56)26(55)18-64-44/h5,19-20,22-47,51-63H,6-18H2,1-4H3/t19?,20-,22?,23?,24?,25+,26+,27+,28?,29-,30+,31+,32?,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47-,48-,49-,50+/m0/s1 |
| InChIKey | XVPVVWNZAJAPLF-JHOJLIHZSA-N |
| Literature Reference Author | B.MA,B.WANG,J.DONG,X.YAN,H.ZHANG,A.TU |
| Literature Reference Citation | PLANTA.MED.,63,376(1997) |
| Literature Reference DOI | 10.1055/s-2006-957710 |
| Molecular Weight | 1049.171 g/mol |
| Solvent | C5D5N |
| Source File Reference | UIAP990 |