SpectraBase Compound ID | KyYSESE02Il |
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InChI | InChI=1S/C46H72O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8-9,22,25-39,47-54H,10-21H2,1-7H3,(H,55,56)/t22-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1 |
InChIKey | SFNSOTRNZQFUNO-FJBMPBLCSA-N |
Mol Weight | 881.1 g/mol |
Molecular Formula | C46H72O16 |
Exact Mass | 880.482036 g/mol |
SpectraBase Spectrum ID | Jxqwp87MvZw |
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Name | 3-BETA-O-[BETA-D-RIBOPYRANOSYL-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL]-HEDERAGENIN-11,13-DIEN-28-OIC-ACID |
Compound Number | 1 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C46H72O16 |
InChI | InChI=1S/C46H72O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8-9,22,25-39,47-54H,10-21H2,1-7H3,(H,55,56)/t22-,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1 |
InChIKey | SFNSOTRNZQFUNO-FJBMPBLCSA-N |
Literature Reference Author | W.HAI,H.CHENG,M.ZHAO,Y.WANG,L.HONG,H.TANG,X.TIAN |
Literature Reference Citation | FITOTERAPIA,83,759(2012) |
Literature Reference DOI | 10.1016/j.fitote.2012.03.003 |
Molecular Weight | 881.068 g/mol |
Sample ID | 71907 |
Solvent | C5D5N |