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23-R-methylcholesterol
SpectraBase Compound ID AgY2rkS12Hw
InChI InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,29)16-17-27(21,5)25(22)14-15-28(23,24)6/h10,19-20,22-25,29H,7-9,11-18H2,1-6H3/t20-,22+,23-,24+,25+,26?,27+,28-/m1/s1
InChIKey MORIJPBWWVLFCE-OQKHIMPESA-N
Mol Weight 400.7 g/mol
Molecular Formula C28H48O
Exact Mass 400.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GjfXJmLxk9b
Name 23-R-methylcholesterol
Alternate Name(s) 3-Methylcholest-5-en-3-ol (8S,9S,10R,13R,14S,17R)-3,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
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Formula C28H48O
InChI InChI=1S/C28H48O/c1-19(2)8-7-9-20(3)23-12-13-24-22-11-10-21-18-26(4,29)16-17-27(21,5)25(22)14-15-28(23,24)6/h10,19-20,22-25,29H,7-9,11-18H2,1-6H3/t20-,22+,23-,24+,25+,26?,27+,28-/m1/s1
InChIKey MORIJPBWWVLFCE-OQKHIMPESA-N
Molecular Weight 400.691 g/mol
SMILES OC1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)C
SPLASH splash10-0zfr-7933300000-3be6bb7f5002791b22b5
Source of Spectrum SD-1992-0-0
Wiley ID 161208