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Androstane-3,17-dione, 4,5,19-trihydroxy-, (4.alpha.,5.alpha.)-
SpectraBase Compound ID 6ZnAaUltabt
InChI InChI=1S/C19H28O5/c1-17-7-5-13-11(12(17)2-3-15(17)22)4-9-19(24)16(23)14(21)6-8-18(13,19)10-20/h11-13,16,20,23-24H,2-10H2,1H3/t11-,12-,13-,16+,17-,18-,19+/m0/s1
InChIKey WMQAOTKSKWNCGD-QFZIMRIFSA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dyt9KAHcXXn
Name Androstane-3,17-dione, 4,5,19-trihydroxy-, (4.alpha.,5.alpha.)-
Alternate Name(s) (4alpha,5alpha)-4,5,19-trihydroxyandrostane-3,17-dione 4.alpha.,5,19-trihydroxy-5.alpha.-androstane-3,17-dione
CAS Registry Number 133466-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-17-7-5-13-11(12(17)2-3-15(17)22)4-9-19(24)16(23)14(21)6-8-18(13,19)10-20/h11-13,16,20,23-24H,2-10H2,1H3/t11-,12-,13-,16+,17-,18-,19+/m0/s1
InChIKey WMQAOTKSKWNCGD-QFZIMRIFSA-N
Molecular Weight 336.428 g/mol
SMILES O[C@@]1(C(CC[C@]2([C@]1(CC[C@@]1([C@@]2(CC[C@@]2(C(CC[C@@]12[H])=O)C)[H])[H])O)CO)=O)[H]
SPLASH splash10-0006-9012000000-ffc45da28e45eb74a9d0
Source of Spectrum KC-1990-2903-25
Wiley ID 1332436