SpectraBase Compound ID | 16MrEdoWdXu |
---|---|
InChI | InChI=1S/C52H84O22/c1-47(2)14-15-52(46(66)74-44-40(65)37(62)35(60)27(71-44)21-69-42-38(63)32(57)24(54)19-67-42)23(16-47)22-8-9-29-49(5)12-11-31(48(3,4)28(49)10-13-50(29,6)51(22,7)17-30(52)56)72-45-41(33(58)25(55)20-68-45)73-43-39(64)36(61)34(59)26(18-53)70-43/h8,23-45,53-65H,9-21H2,1-7H3/t23-,24+,25-,26+,27+,28-,29+,30+,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/m0/s1 |
InChIKey | NWNUTSZTAUGIGA-SITIIBQWSA-N |
Mol Weight | 1061.2 g/mol |
Molecular Formula | C52H84O22 |
Exact Mass | 1060.545424 g/mol |
Enantiomer InChIKey | NWNUTSZTAUGIGA-GJFBSYRRSA-N |
Title | Journal or Book | Year |
---|---|---|
Anti-inflammatory triterpene saponins of Pithecellobium dulce: Characterization of an echinocystic acid bisdesmoside | Phytochemistry | 1994 |
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