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UTHWROIOIKNYTC-RNKPQUIMSA-N
SpectraBase Compound ID C2kp0ATJWch
InChI InChI=1S/C57H94O29/c1-22(20-76-49-43(71)39(67)36(64)30(16-58)79-49)8-13-57(75-5)23(2)34-29(86-57)15-56(74)27-7-6-24-14-25(9-11-54(24,3)26(27)10-12-55(34,56)4)78-51-45(73)41(69)46(33(19-61)82-51)83-53-48(85-52-44(72)40(68)37(65)31(17-59)80-52)47(38(66)32(18-60)81-53)84-50-42(70)35(63)28(62)21-77-50/h6,22-23,25-53,58-74H,7-21H2,1-5H3/t22?,23-,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 UTHWROIOIKNYTC-RNKPQUIMSA-N
Mol Weight 1243.3 g/mol
Molecular Formula C57H94O29
Exact Mass 1242.588077 g/mol
Enantiomer InChIKey UTHWROIOIKNYTC-SBHDFHEUSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent C5D5N
Title Journal or Book Year
NMR spectroscopy of steroidal sapogenins and steroidal saponins: An update Magnetic Resonance in Chemistry 1995

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