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Cyclobuta[a]phenanthrene, D-norandrostane-16-carboxylic acid deriv.
SpectraBase Compound ID ICFiKsAf4s1
InChI InChI=1S/C20H32O2/c1-19-10-5-4-6-13(19)7-8-14-15(19)9-11-20(2)16(14)12-17(20)18(21)22-3/h13-17H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,19+,20+/m1/s1
InChIKey ZKHGAEGNDGUNNY-DGNOAVAJSA-N
Mol Weight 304.5 g/mol
Molecular Formula C20H32O2
Exact Mass 304.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPvF6gxUy9M
Name Cyclobuta[a]phenanthrene, D-norandrostane-16-carboxylic acid deriv.
CAS Registry Number 112344-75-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2
InChI InChI=1S/C20H32O2/c1-19-10-5-4-6-13(19)7-8-14-15(19)9-11-20(2)16(14)12-17(20)18(21)22-3/h13-17H,4-12H2,1-3H3/t13-,14-,15+,16+,17-,19+,20+/m1/s1
InChIKey ZKHGAEGNDGUNNY-DGNOAVAJSA-N
Molecular Weight 304.474 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)OC)[H])C
SPLASH splash10-0aor-0960000000-d98f67e0c6f0e6a4ab4b
Source of Spectrum KC-1987-1251-15
Synonyms D-Norandrostane-16-carboxylic acid, methyl ester, (5.alpha.,13.alpha.,16.beta.)- Methyl (1S,2aS,2bR,4aR,8aS,8bS,10aS)-8a,10a-dimethylhexadecahydrocyclobuta[a]phenanthrene-1-carboxylate Methyl 17-nor-5.alpha.,13.alpha.-androstane-16.beta.-carboxylate
Wiley ID 1306923