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(3'-Oxo-4'-androsten-17.beta.-yl) 4-(2''-glyceryl)-butyrate
SpectraBase Compound ID 9qtmwWIXAzB
InChI InChI=1S/C26H40O6/c1-25-11-9-18(29)14-17(25)5-6-20-21-7-8-23(26(21,2)12-10-22(20)25)32-24(30)4-3-13-31-19(15-27)16-28/h14,19-23,27-28H,3-13,15-16H2,1-2H3/t20?,21?,22?,23-,25-,26-/m0/s1
InChIKey KHHWMROXGCGTFS-YDVYPWCBSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv6rKqFnwiQ
Name (3'-Oxo-4'-androsten-17.beta.-yl) 4-(2''-glyceryl)-butyrate
Alternate Name(s) (17beta)-3-oxoandrost-4-en-17-yl 4-[2-hydroxy-1-(hydroxymethyl)ethoxy]butanoate 3-(3'-Oxo-4'-androsten-17.beta.-yl) 4-(2''-glyceryl)-butyrate
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Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-25-11-9-18(29)14-17(25)5-6-20-21-7-8-23(26(21,2)12-10-22(20)25)32-24(30)4-3-13-31-19(15-27)16-28/h14,19-23,27-28H,3-13,15-16H2,1-2H3/t20?,21?,22?,23-,25-,26-/m0/s1
InChIKey KHHWMROXGCGTFS-YDVYPWCBSA-N
Molecular Weight 448.600 g/mol
SMILES OCC(CO)OCCCC(O[C@@]1([C@]2(CCC3[C@@]4(C(=CC(CC4)=O)CCC3C2CC1)C)C)[H])=O
SPLASH splash10-000i-9400000000-36d417dd6a74d7ca6045
Source of Spectrum D8-328-274-13
Wiley ID 1515805