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3-Hydroxymethyl-a-norcholestane
SpectraBase Compound ID 9VnSEStlyYO
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-28)16-27(21,5)25(22)13-14-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23?,24?,25?,26-,27+/m1/s1
InChIKey KLCCLYPNRZOPDJ-QYWHVJGZSA-N
Mol Weight 388.7 g/mol
Molecular Formula C27H48O
Exact Mass 388.370516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DWd7teDHnW
Name 3-Hydroxymethyl-a-norcholestane
Alternate Name(s) {(3aS,5aR,8bR,10aS)-6-[(1R)-1,5-dimethylhexyl]-3a,5a-dimethylhexadecahydrodicyclopenta[a,f]naphthalen-2-yl}methanol
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Formula C27H48O
InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-21-15-20(17-28)16-27(21,5)25(22)13-14-26(23,24)4/h18-25,28H,6-17H2,1-5H3/t19-,20?,21+,22+,23?,24?,25?,26-,27+/m1/s1
InChIKey KLCCLYPNRZOPDJ-QYWHVJGZSA-N
Molecular Weight 388.680 g/mol
SMILES OCC1C[C@@]2(C3CC[C@]4(C([C@@]3(CC[C@]2(C1)[H])[H])CCC4[C@@](CCCC(C)C)(C)[H])C)C
SPLASH splash10-0019-8789000000-70034d472ce68b770a5b
Source of Spectrum SD-1992-0-0
Wiley ID 161097