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24-Nor-5β-chol-22-ene-3α,7α-triol, triformate

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24-Nor-5β-chol-22-ene-3α,7α-triol, triformate
SpectraBase Compound ID DL65DEiULfz
InChI InChI=1S/C26H38O6/c1-5-16(2)19-6-7-20-24-21(12-23(32-15-29)26(19,20)4)25(3)9-8-18(30-13-27)10-17(25)11-22(24)31-14-28/h5,13-24H,1,6-12H2,2-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey IKHQWPQYYNAFIC-JGSYMWHOSA-N
Mol Weight 446.6 g/mol
Molecular Formula C26H38O6
Exact Mass 446.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3smV0ndWgEy
Name 24-Nor-5β-chol-22-ene-3α,7α-triol, triformate
Source of Sample D. T. E. Belobaba, Mayo Foundation, Rochester, Minnesota
Comments Tentative assignment; Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O6
InChI InChI=1S/C26H38O6/c1-5-16(2)19-6-7-20-24-21(12-23(32-15-29)26(19,20)4)25(3)9-8-18(30-13-27)10-17(25)11-22(24)31-14-28/h5,13-24H,1,6-12H2,2-4H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey IKHQWPQYYNAFIC-JGSYMWHOSA-N
Melting Point 186-188C
Molecular Weight 446.59
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 24-NORCHOL-22-ENE-3A,7A,12A-TRIOL, 5B-, TRIFORMATE