SpectraBase Compound ID | HCaF9Jb6xfy |
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InChI | InChI=1S/C57H72O32/c1-74-29-15-25(7-11-28(29)62)8-13-39(64)84-51-36(22-60)88-57(24-61,53(51)85-40(65)14-10-27-18-32(77-4)49(79-6)33(19-27)78-5)89-56-52(45(70)43(68)37(83-56)23-80-38(63)12-9-26-16-30(75-2)41(66)31(17-26)76-3)87-55-48(73)46(71)50(35(21-59)82-55)86-54-47(72)44(69)42(67)34(20-58)81-54/h7-19,34-37,42-48,50-56,58-62,66-73H,20-24H2,1-6H3/b12-9+,13-8+,14-10+/t34-,35+,36-,37+,42-,43+,44+,45-,46+,47-,48+,50+,51-,52+,53+,54+,55-,56+,57+/m0/s1 |
InChIKey | ZYHPPHCJLFPTHX-YTTSOICESA-N |
Mol Weight | 1269.2 g/mol |
Molecular Formula | C57H72O32 |
Exact Mass | 1268.40067 g/mol |
SpectraBase Spectrum ID | 5t1DpzuutHG |
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Name | TRICORNOSE_J;3-O-(E)-3,4,5-TRIMETHOXYCINNAMOYL-[4-O-(E)-FERULOYL]-BETA-D-FRUCTOFURANOSYL-(2->1)-[BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSY |
Compound Number | 18 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C57H72O32 |
InChI | InChI=1S/C57H72O32/c1-74-29-15-25(7-11-28(29)62)8-13-39(64)84-51-36(22-60)88-57(24-61,53(51)85-40(65)14-10-27-18-32(77-4)49(79-6)33(19-27)78-5)89-56-52(45(70)43(68)37(83-56)23-80-38(63)12-9-26-16-30(75-2)41(66)31(17-26)76-3)87-55-48(73)46(71)50(35(21-59)82-55)86-54-47(72)44(69)42(67)34(20-58)81-54/h7-19,34-37,42-48,50-56,58-62,66-73H,20-24H2,1-6H3/b12-9+,13-8+,14-10+/t34-,35+,36-,37+,42-,43+,44+,45-,46+,47-,48+,50+,51-,52+,53+,54+,55-,56+,57+/m0/s1 |
InChIKey | ZYHPPHCJLFPTHX-YTTSOICESA-N |
Literature Reference Author | J.LI,Y.JIANG,P.F.TU |
Literature Reference Citation | J.NAT.PROD.,68,739(2005) |
Literature Reference DOI | 10.1021/np050023x |
Molecular Weight | 1269.179 g/mol |
Solvent | CD3OD |