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3A,6A,7B,12A-TETRAHYDROXY-5A-CHOLANOIC ACID METHYL ESTER
SpectraBase Compound ID 2vwwpcIHevB
InChI InChI=1S/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13-,14+,15+,16?,17?,18?,19-,21?,22+,23+,24+,25+/m1/s1
InChIKey SYHUKNSTHJICMX-LMMSMWQTSA-N
Mol Weight 438.6 g/mol
Molecular Formula C25H42O6
Exact Mass 438.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LEvH2Z2MbQU
Name 3A,6A,7B,12A-TETRAHYDROXY-5B-CHOLANOIC ACID METHYL ESTER
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Formula C25H42O6
InChI InChI=1S/C25H42O6/c1-13(5-8-20(28)31-4)15-6-7-16-21-17(12-19(27)25(15,16)3)24(2)10-9-14(26)11-18(24)22(29)23(21)30/h13-19,21-23,26-27,29-30H,5-12H2,1-4H3/t13-,14+,15+,16?,17?,18?,19-,21?,22+,23+,24+,25+/m1/s1
InChIKey SYHUKNSTHJICMX-LMMSMWQTSA-N
NMR Standard TMS
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