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D-Homoestr-4-en-3-one, 17a-(1,1-dimethylethoxy)-, (17a.beta.)-
SpectraBase Compound ID 1eedCwHoR7Z
InChI InChI=1S/C23H36O2/c1-22(2,3)25-21-7-5-6-20-19-10-8-15-14-16(24)9-11-17(15)18(19)12-13-23(20,21)4/h14,17-21H,5-13H2,1-4H3/t17-,18+,19+,20-,21-,23-/m0/s1
InChIKey PGMBNNUWCVFXGJ-ZBVDZRMISA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14I87iNT9w7
Name D-Homoestr-4-en-3-one, 17a-(1,1-dimethylethoxy)-, (17a.beta.)-
Alternate Name(s) (4aR,4bS,6aS,7S,10aS,10bR)-7-tert-butoxy-6a-methyl-4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12-tetradecahydro-2(3H)-chrysenone 17a.beta.-(t-Butoxy)-D-homo-4-estren-3-one
CAS Registry Number 61921-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O2
InChI InChI=1S/C23H36O2/c1-22(2,3)25-21-7-5-6-20-19-10-8-15-14-16(24)9-11-17(15)18(19)12-13-23(20,21)4/h14,17-21H,5-13H2,1-4H3/t17-,18+,19+,20-,21-,23-/m0/s1
InChIKey PGMBNNUWCVFXGJ-ZBVDZRMISA-N
Molecular Weight 344.539 g/mol
SMILES [C@@]12([C@]([C@@]3(CCC=4[C@@]([C@]3(CC2)[H])(CCC(=O)C4)[H])[H])(CCC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH splash10-052r-4390000000-d9dce4d874e364f20546
Source of Spectrum H-61-2406-0
Wiley ID 1338342