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A-Norpregnane, 3,20-dimethyl-, (3.beta.,5.alpha.)-
SpectraBase Compound ID HV8yeMQp7Rh
InChI InChI=1S/C22H38/c1-14(2)17-8-9-19-16-6-7-18-15(3)10-12-22(18,5)20(16)11-13-21(17,19)4/h14-20H,6-13H2,1-5H3/t15-,16?,17+,18-,19?,20?,21+,22-/m0/s1
InChIKey XOYGNUQVAVHUIY-DXUSBGTQSA-N
Mol Weight 302.5 g/mol
Molecular Formula C22H38
Exact Mass 302.297351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvITmzZXRtX
Name A-Norpregnane, 3,20-dimethyl-, (3.beta.,5.alpha.)-
Alternate Name(s) Dicyclopenta[a,f]naphthalene, A-norpregnane deriv. (1S,3aS,5aR,6R,10aS)-6-isopropyl-1,3a,5a-trimethylhexadecahydrodicyclopenta[a,f]naphthalene 3.beta.,20-dimethyl-a-nor-5.alpha.-pregnane
CAS Registry Number 68075-81-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H38
InChI InChI=1S/C22H38/c1-14(2)17-8-9-19-16-6-7-18-15(3)10-12-22(18,5)20(16)11-13-21(17,19)4/h14-20H,6-13H2,1-5H3/t15-,16?,17+,18-,19?,20?,21+,22-/m0/s1
InChIKey XOYGNUQVAVHUIY-DXUSBGTQSA-N
Molecular Weight 302.546 g/mol
SMILES [C@@]12(C3C(C4CC[C@@]([C@]4(CC3)C)(C(C)C)[H])CC[C@]2([C@@](C)(CC1)[H])[H])C
SPLASH splash10-014i-0092000000-31ed7162fbf6aea6289a
Source of Spectrum F-34-711-0
Wiley ID 1305312