SpectraBase Compound ID | Cp9EQXfrwm9 |
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InChI | InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-51-42(69)39(66)36(63)30(15-57)75-51)82-52-44(71)46(37(64)31(16-58)76-52)80-49-41(68)35(62)28(61)20-72-49/h21-53,57-71H,5-20H2,1-4H3/t21-,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+,51-,52+,53+,54-,55-,56+/m0/s1 |
InChIKey | LVZUXSZGFZQWGJ-VANQUQDRSA-N |
Mol Weight | 1197.3 g/mol |
Molecular Formula | C56H92O27 |
Exact Mass | 1196.582598 g/mol |
SpectraBase Spectrum ID | KJgexzYH28a |
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Name | POLIANTHOSIDE-B;TIGOGENIN-3-O-BETA-D-XYLOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL- |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C56H92O27 |
InChI | InChI=1S/C56H92O27/c1-21-7-12-56(73-19-21)22(2)34-29(83-56)14-27-25-6-5-23-13-24(8-10-54(23,3)26(25)9-11-55(27,34)4)74-50-43(70)40(67)45(33(18-60)78-50)79-53-48(47(38(65)32(17-59)77-53)81-51-42(69)39(66)36(63)30(15-57)75-51)82-52-44(71)46(37(64)31(16-58)76-52)80-49-41(68)35(62)28(61)20-72-49/h21-53,57-71H,5-20H2,1-4H3/t21-,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+,51-,52+,53+,54-,55-,56+/m0/s1 |
InChIKey | LVZUXSZGFZQWGJ-VANQUQDRSA-N |
Literature Reference Author | J.M.JIN,Y.J.ZHANG,C.R.YANG |
Literature Reference Citation | J.NAT.PROD.,67,5(2004) |
Literature Reference DOI | 10.1021/np034028a |
Molecular Weight | 1197.330 g/mol |
Solvent | C5D5N |
Source File Reference | UWSP872 |