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Cyclobuta[a]phenanthrene, D(15)-norpregnan-20-one deriv.
SpectraBase Compound ID 1MaOpBUr4cY
InChI InChI=1S/C20H32O/c1-13(21)17-12-18-15-8-7-14-6-4-5-10-19(14,2)16(15)9-11-20(17,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKey XUIDBVJRZYQJPL-GCNBINEPSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dh6jWak4hK
Name Cyclobuta[a]phenanthrene, D(15)-norpregnan-20-one deriv.
Alternate Name(s) D(15)-Norpregnan-20-one, (5.alpha.,13.alpha.)- 1-[(1S,2aS,2bR,4aR,8aS,8bS,10aR)-8a,10a-dimethylhexadecahydrocyclobuta[a]phenanthren-1-yl]ethanone 16-nor-5.alpha.,13.alpha.,17.beta.-pregnan-20-one
CAS Registry Number 112418-64-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-13(21)17-12-18-15-8-7-14-6-4-5-10-19(14,2)16(15)9-11-20(17,18)3/h14-18H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+/m1/s1
InChIKey XUIDBVJRZYQJPL-GCNBINEPSA-N
Molecular Weight 288.475 g/mol
SMILES [C@]12([C@@]([C@@]3(CC[C@@]4([C@]([C@]3(CC2)[H])(C)CCCC4)[H])[H])([H])C[C@@]1(C(=O)C)[H])C
SPLASH splash10-0api-9470000000-ac2e7957558e2e1acf31
Source of Spectrum KC-1987-1252-22
Wiley ID 1292274