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3-ALPHA,7-ALPHA,12-ALPHA-TRI-O-FORMYLCHOLIC-ACID
SpectraBase Compound ID 5xG77KTOhqm
InChI InChI=1S/C27H40O8/c1-16(4-7-24(31)32)19-5-6-20-25-21(12-23(35-15-30)27(19,20)3)26(2)9-8-18(33-13-28)10-17(26)11-22(25)34-14-29/h13-23,25H,4-12H2,1-3H3,(H,31,32)/t16-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey OHJFKWAMNYLNEV-OCCHXLOTSA-N
Mol Weight 492.6 g/mol
Molecular Formula C27H40O8
Exact Mass 492.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HFZtXO3FE02
Name 3-ALPHA,7-ALPHA,12-ALPHA-TRI-O-FORMYLCHOLIC-ACID
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O8
InChI InChI=1S/C27H40O8/c1-16(4-7-24(31)32)19-5-6-20-25-21(12-23(35-15-30)27(19,20)3)26(2)9-8-18(33-13-28)10-17(26)11-22(25)34-14-29/h13-23,25H,4-12H2,1-3H3,(H,31,32)/t16-,17+,18-,19-,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey OHJFKWAMNYLNEV-OCCHXLOTSA-N
Literature Reference Author R.ADHIKARI,D.J.CUNDY,C.L.FRANCIS,M.GEBARA-COGHLAN,B.KRYWULT, C.LUBIN,G.W.SIMPSON,
Literature Reference Citation AUSTR.J.CHEM.,58,34(2005)
Literature Reference DOI 10.1071/CH04175
Molecular Weight 492.610 g/mol
Sample ID 28890
Solvent CDCl3