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DELTA(20(22))-SARSAPARILLOSIDE
SpectraBase Compound ID nn7PMQE7hX
InChI InChI=1S/C57H94O27/c1-21(19-74-51-44(69)41(66)37(62)31(16-58)79-51)6-9-29-22(2)35-30(78-29)15-28-26-8-7-24-14-25(10-12-56(24,4)27(26)11-13-57(28,35)5)77-55-50(84-54-47(72)43(68)39(64)33(18-60)81-54)48(73)49(83-53-46(71)40(65)36(61)23(3)76-53)34(82-55)20-75-52-45(70)42(67)38(63)32(17-59)80-52/h21,23-28,30-55,58-73H,6-20H2,1-5H3/t21-,23+,24-,25-,26+,27-,28-,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 KPKMIXGAKPDMQM-DOKRRRIISA-N
Mol Weight 1211.4 g/mol
Molecular Formula C57H94O27
Exact Mass 1210.598248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LY9FPjLZkbI
Name DELTA(20(22))-SARSAPARILLOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H94O27
InChI InChI=1S/C57H94O27/c1-21(19-74-51-44(69)41(66)37(62)31(16-58)79-51)6-9-29-22(2)35-30(78-29)15-28-26-8-7-24-14-25(10-12-56(24,4)27(26)11-13-57(28,35)5)77-55-50(84-54-47(72)43(68)39(64)33(18-60)81-54)48(73)49(83-53-46(71)40(65)36(61)23(3)76-53)34(82-55)20-75-52-45(70)42(67)38(63)32(17-59)80-52/h21,23-28,30-55,58-73H,6-20H2,1-5H3/t21-,23+,24-,25-,26+,27-,28-,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 KPKMIXGAKPDMQM-DOKRRRIISA-N
Literature Reference Author V.L.CHALLINOR,S.PIACENTE,J.J.DEVOSS
Literature Reference Citation STEROIDS,77,602(2012)
Literature Reference DOI 10.1016/j.steroids.2012.02.002
Molecular Weight 1211.357 g/mol
Sample ID 968851
Solvent CD3OD