SpectraBase Compound ID | FwJoD72faFj |
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InChI | InChI=1S/C57H94O28/c1-21-7-12-57(74-20-21)22(2)34-28(85-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)75-50-44(72)41(69)46(33(19-62)80-50)81-54-49(48(38(66)32(18-61)79-54)83-52-43(71)40(68)36(64)30(16-59)77-52)84-53-45(73)47(37(65)31(17-60)78-53)82-51-42(70)39(67)35(63)29(15-58)76-51/h21-54,58-73H,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-,57+/m0/s1 |
InChIKey | YDSTYXYWSNXCIJ-JROYKGPASA-N |
Mol Weight | 1227.4 g/mol |
Molecular Formula | C57H94O28 |
Exact Mass | 1226.593162 g/mol |
SpectraBase Spectrum ID | 66r0dwDRfck |
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Name | POLIANTHOSIDE-C;TIGOGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL |
Compound Number | 2 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H94O28 |
InChI | InChI=1S/C57H94O28/c1-21-7-12-57(74-20-21)22(2)34-28(85-57)14-27-25-6-5-23-13-24(8-10-55(23,3)26(25)9-11-56(27,34)4)75-50-44(72)41(69)46(33(19-62)80-50)81-54-49(48(38(66)32(18-61)79-54)83-52-43(71)40(68)36(64)30(16-59)77-52)84-53-45(73)47(37(65)31(17-60)78-53)82-51-42(70)39(67)35(63)29(15-58)76-51/h21-54,58-73H,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-,57+/m0/s1 |
InChIKey | YDSTYXYWSNXCIJ-JROYKGPASA-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 | 1227.357 g/mol |
Solvent | C5D5N |
Source File Reference | UWSP873 |