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SCYMNOL;(24R)-5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,24,26,27-HEXOL
SpectraBase Compound ID Gtq8RzyzBMs
InChI InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey DIPHJTHZUWDJIK-JPLAUYQNSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H48O6
Exact Mass 468.345089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2HnmyH5bwZK
Name SCYMNOL;(24R)-5-BETA-CHOLESTANE-3-ALPHA,7-ALPHA,12-ALPHA,24,26,27-HEXOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H48O6
InChI InChI=1S/C27H48O6/c1-15(4-7-22(31)16(13-28)14-29)19-5-6-20-25-21(12-24(33)27(19,20)3)26(2)9-8-18(30)10-17(26)11-23(25)32/h15-25,28-33H,4-14H2,1-3H3/t15-,17+,18-,19-,20+,21+,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey DIPHJTHZUWDJIK-JPLAUYQNSA-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 468.675 g/mol
Sample ID 28896
Solvent CD3OD