SpectraBase Compound ID | 58icgelKWBk |
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InChI | InChI=1S/C59H94O28/c1-23-34(65)39(70)44(75)49(80-23)85-46-35(66)26(63)20-78-51(46)86-47-42(73)38(69)29(21-79-48-43(74)40(71)36(67)27(18-60)81-48)83-52(47)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(84-50-45(76)41(72)37(68)28(19-61)82-50)56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64/h8,22-23,25-52,60-61,63-76H,9-21H2,1-7H3/t23-,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-,51-,52-,55-,56-,57+,58+,59+/m1/s1 |
InChIKey | GTIJSJBILWMFPO-SIRVCXEESA-N |
Mol Weight | 1251.4 g/mol |
Molecular Formula | C59H94O28 |
Exact Mass | 1250.593162 g/mol |
SpectraBase Spectrum ID | 27kLOJXEEV7 |
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Name | 3-O-BETA-D-GLUCOPYRANOSYL-GYPSOGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->6)]-BETA-D-GLUC |
Compound Number | 3 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C59H94O28 |
InChI | InChI=1S/C59H94O28/c1-23-34(65)39(70)44(75)49(80-23)85-46-35(66)26(63)20-78-51(46)86-47-42(73)38(69)29(21-79-48-43(74)40(71)36(67)27(18-60)81-48)83-52(47)87-53(77)59-15-14-54(2,3)16-25(59)24-8-9-31-55(4)12-11-33(84-50-45(76)41(72)37(68)28(19-61)82-50)56(5,22-62)30(55)10-13-57(31,6)58(24,7)17-32(59)64/h8,22-23,25-52,60-61,63-76H,9-21H2,1-7H3/t23-,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-,51-,52-,55-,56-,57+,58+,59+/m1/s1 |
InChIKey | GTIJSJBILWMFPO-SIRVCXEESA-N |
Literature Reference Author | G.GAIDI,T.MIYAMOTO,A.RUSTAIYAN,M.A.LACAILLE-DUBOIS |
Literature Reference Citation | J.NAT.PROD.,64,920(2001) |
Literature Reference DOI | 10.1021/np010002c |
Molecular Weight | 1251.379 g/mol |
Solvent | DMSO-D6 |
Source File Reference | UWSI1223 |