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De-A,B-20-methyl-pregnan-8.beta.-ol
SpectraBase Compound ID 1R4hZ66QJyZ
InChI InChI=1S/C13H24O/c1-9(2)10-6-7-11-12(14)5-4-8-13(10,11)3/h9-12,14H,4-8H2,1-3H3/t10-,11+,12+,13-/m1/s1
InChIKey OBACWXSSQZGWGJ-MROQNXINSA-N
Mol Weight 196.33 g/mol
Molecular Formula C13H24O
Exact Mass 196.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lPaZTGYeYY
Name Des-A,B-23,24-dinorcholane-8.beta.-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O
InChI InChI=1S/C13H24O/c1-9(2)10-6-7-11-12(14)5-4-8-13(10,11)3/h9-12,14H,4-8H2,1-3H3/t10-,11+,12+,13-/m1/s1
InChIKey OBACWXSSQZGWGJ-MROQNXINSA-N
Ionization Type EI
Molecular Weight 196.334 g/mol
Optical Rotation [a]D = +23.5 (c = 0.90, CHCl3)
SMILES O[C@]1(CCC[C@]2([C@]1(CC[C@@]2(C(C)C)[H])[H])C)[H]
SPLASH splash10-03di-0900000000-e8f24c0b6f91dee70664
Source of Spectrum EP1817278B1
Wiley ID 1841720