SpectraBase Compound ID | GCAziSoPXE6 |
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InChI | InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43?,44?,45?/m0/s1 |
InChIKey | WROHFEWGWYQNPP-DAYLWTPISA-N |
Mol Weight | 921.1 g/mol |
Molecular Formula | C45H76O19 |
Exact Mass | 920.49808 g/mol |
SpectraBase Spectrum ID | HMaJL2oqabP |
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Name | #29;TRIGONEOSIDE-XA;26-O-BETA-D-GLUCOPYRANOSYL-2-ALPHA,3-BETA,22-XI,26-TETRAHYDROXY-(25S)-5-ALPHA-FUROSTANE-3-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRA |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C45H76O19 |
InChI | InChI=1S/C45H76O19/c1-18(17-58-40-37(55)35(53)32(50)28(15-46)61-40)8-11-45(57)19(2)30-27(64-45)13-24-22-7-6-21-12-26(25(48)14-44(21,5)23(22)9-10-43(24,30)4)60-42-39(36(54)33(51)29(16-47)62-42)63-41-38(56)34(52)31(49)20(3)59-41/h18-42,46-57H,6-17H2,1-5H3/t18-,19-,20+,21-,22+,23-,24-,25+,26+,27-,28-,29-,30-,31+,32-,33-,34-,35+,36+,37-,38-,39-,40-,41+,42-,43?,44?,45?/m0/s1 |
InChIKey | WROHFEWGWYQNPP-DAYLWTPISA-N |
Literature Reference Author | P.K.AGRAWAL |
Literature Reference Citation | STEROIDS,70,715(2005) |
Literature Reference DOI | 10.1016/j.steroids.2005.04.001 |
Molecular Weight | 921.087 g/mol |
Sample ID | 968774 |
Solvent | C5D5N |