SpectraBase Compound ID | IPAHcBL73l5 |
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InChI | InChI=1S/C51H82O24/c1-19(18-67-46-41(64)37(60)34(57)28(14-52)70-46)5-8-26-20(2)33-27(69-26)12-25-23-7-6-21-11-22(9-10-50(21,3)24(23)13-32(56)51(25,33)4)68-47-43(66)40(63)44(31(17-55)73-47)74-49-45(39(62)36(59)30(16-54)72-49)75-48-42(65)38(61)35(58)29(15-53)71-48/h19,21-25,27-31,33-49,52-55,57-66H,5-18H2,1-4H3/t19?,21-,22-,23?,24?,25?,27?,28+,29-,30-,31+,33?,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46+,47+,48+,49+,50-,51+/m0/s1 |
InChIKey | TVRRDUXJKROMDX-CEFSGCRESA-N |
Mol Weight | 1079.2 g/mol |
Molecular Formula | C51H82O24 |
Exact Mass | 1078.519603 g/mol |
SpectraBase Spectrum ID | ETE6ePDO1sZ |
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Name | 26-O-BETA-D-GLUCOPYRANOSYL-(25R,S)-5-ALPHA-FUROST-20(22)-EN-12-ONE-3-BETA,26-DIOL-3-O-BETA-D-GALACTOPYRANOSYL-(1->2)-BETA-D-GLUCOPYRANOYL-(1->4)-B |
Compound Number | 6A |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C51H82O24 |
InChI | InChI=1S/C51H82O24/c1-19(18-67-46-41(64)37(60)34(57)28(14-52)70-46)5-8-26-20(2)33-27(69-26)12-25-23-7-6-21-11-22(9-10-50(21,3)24(23)13-32(56)51(25,33)4)68-47-43(66)40(63)44(31(17-55)73-47)74-49-45(39(62)36(59)30(16-54)72-49)75-48-42(65)38(61)35(58)29(15-53)71-48/h19,21-25,27-31,33-49,52-55,57-66H,5-18H2,1-4H3/t19?,21-,22-,23?,24?,25?,27?,28+,29-,30-,31+,33?,34+,35+,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46+,47+,48+,49+,50-,51+/m0/s1 |
InChIKey | TVRRDUXJKROMDX-CEFSGCRESA-N |
Literature Reference Author | Y.WANG,K.OHTANI,R.KASAI,K.YAMASAKI |
Literature Reference Citation | PHYTOCHEM.,45,811(1997) |
Literature Reference DOI | 10.1016/S0031-9422(97)00043-5 |
Molecular Weight | 1079.198 g/mol |
Solvent | C5D5N |
Source File Reference | UWSP1580 |