| SpectraBase Compound ID | 5IEk6NWUrf4 |
|---|---|
| InChI | InChI=1S/C56H90O28/c1-21-6-9-56(75-19-21)22(2)37-30(84-56)11-25-23-10-27(60)26-12-29(28(61)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(33(18-59)80-50)81-52-48(83-51-44(71)41(68)38(65)31(16-57)78-51)47(40(67)32(17-58)79-52)82-49-43(70)39(66)34(20-74-49)76-36(64)15-53(3,73)14-35(62)63/h21-34,37-52,57-61,65-73H,6-20H2,1-5H3,(H,62,63)/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,55+,56-/m0/s1 |
| InChIKey | ALSGGXFFRDJSPT-XQDWQLLESA-N |
| Mol Weight | 1211.3 g/mol |
| Molecular Formula | C56H90O28 |
| Exact Mass | 1210.561862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Jv32Lc3oxQ |
|---|---|
| Name | (25S)-5-ALPHA-SPIROSTAN-2-ALPHA,3-BETA,6-BETA-TRIOL-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[4-O-3S-3-HYDROXY-3-METHYLGLUTAROYL-BETA-D-XYLOPYRANOSYL-(1- |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C56H90O28 |
| InChI | InChI=1S/C56H90O28/c1-21-6-9-56(75-19-21)22(2)37-30(84-56)11-25-23-10-27(60)26-12-29(28(61)13-55(26,5)24(23)7-8-54(25,37)4)77-50-45(72)42(69)46(33(18-59)80-50)81-52-48(83-51-44(71)41(68)38(65)31(16-57)78-51)47(40(67)32(17-58)79-52)82-49-43(70)39(66)34(20-74-49)76-36(64)15-53(3,73)14-35(62)63/h21-34,37-52,57-61,65-73H,6-20H2,1-5H3,(H,62,63)/t21-,22-,23+,24-,25-,26+,27+,28+,29+,30-,31+,32+,33-,34-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-,52-,53+,54-,55+,56-/m0/s1 |
| InChIKey | ALSGGXFFRDJSPT-XQDWQLLESA-N |
| Literature Reference Author | K.KAWASHIMA,Y.MIMAKI,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,32,1267(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95103-3 |
| Molecular Weight | 1211.314 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6444 |