SpectraBase Compound ID | FR06IHyNesA |
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InChI | InChI=1S/C42H66O15/c1-37(2)14-16-42(36(53)57-34-29(48)26(45)25(44)20(18-43)54-34)17-15-40(6)19(24(42)32(37)50)8-9-22-39(5)12-11-23(38(3,4)21(39)10-13-41(22,40)7)55-35-30(49)27(46)28(47)31(56-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21?,22?,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,39+,40-,41-,42+/m1/s1 |
InChIKey | FFVRDWTUNZABAZ-CAXVEEADSA-N |
Mol Weight | 811.0 g/mol |
Molecular Formula | C42H66O15 |
Exact Mass | 810.440171 g/mol |
SpectraBase Spectrum ID | 3vHpjw9MO1j |
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Name | ILEXOSIDE-XXXI;3-O-BETA-[GLUCURONOPYRANOSYL]-SIARESINOLIC-ACID-28-O-[GLUCOPYRANOSYL]-ESTER |
Compound Number | 90 |
Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
Formula | C42H66O15 |
InChI | InChI=1S/C42H66O15/c1-37(2)14-16-42(36(53)57-34-29(48)26(45)25(44)20(18-43)54-34)17-15-40(6)19(24(42)32(37)50)8-9-22-39(5)12-11-23(38(3,4)21(39)10-13-41(22,40)7)55-35-30(49)27(46)28(47)31(56-35)33(51)52/h8,20-32,34-35,43-50H,9-18H2,1-7H3,(H,51,52)/t20-,21?,22?,23+,24?,25-,26+,27+,28+,29-,30-,31+,32+,34+,35-,39+,40-,41-,42+/m1/s1 |
InChIKey | FFVRDWTUNZABAZ-CAXVEEADSA-N |
Literature Reference Author | N.TAN,J.ZHOU,S.ZHAO |
Literature Reference Citation | PHYTOCHEM.,52,153(1999) |
Literature Reference DOI | 10.1016/S0031-9422(98)00454-3 |
Molecular Weight | 810.977 g/mol |
Solvent | C5D5N |
Source File Reference | UWVN1325 |