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1,2-Bis[(17.beta.-acetoxyandrost-5-en-3-.beta.-yl)oxy]ethane
SpectraBase Compound ID K0aODBAC58g
InChI InChI=1S/C44H66O6/c1-27(45)49-39-13-11-35-33-9-7-29-25-31(15-19-41(29,3)37(33)17-21-43(35,39)5)47-23-24-48-32-16-20-42(4)30(26-32)8-10-34-36-12-14-40(50-28(2)46)44(36,6)22-18-38(34)42/h7-8,31-40H,9-26H2,1-6H3/t31-,32-,33?,34?,35?,36?,37?,38?,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey BPMDFKPQJRUZPG-LZZKMQTFSA-N
Mol Weight 691.0 g/mol
Molecular Formula C44H66O6
Exact Mass 690.48594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1O352hMdPEs
Name 1,2-Bis[(17.beta.-acetoxyandrost-5-en-3-.beta.-yl)oxy]ethane
Alternate Name(s) (3S,10R,13S,17S)-3-(2-{[(3S,10R,13S,17S)-17-(acetyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy}ethoxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
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Formula C44H66O6
InChI InChI=1S/C44H66O6/c1-27(45)49-39-13-11-35-33-9-7-29-25-31(15-19-41(29,3)37(33)17-21-43(35,39)5)47-23-24-48-32-16-20-42(4)30(26-32)8-10-34-36-12-14-40(50-28(2)46)44(36,6)22-18-38(34)42/h7-8,31-40H,9-26H2,1-6H3/t31-,32-,33?,34?,35?,36?,37?,38?,39-,40-,41-,42-,43-,44-/m0/s1
InChIKey BPMDFKPQJRUZPG-LZZKMQTFSA-N
Molecular Weight 691.006 g/mol
SMILES [C@]12(C(=CCC3C4CC[C@@]([C@]4(CCC23)C)(OC(=O)C)[H])C[C@](CC1)(OCCO[C@@]1(CC2=CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)C)C)(OC(=O)C)[H])[H])[H])C
SPLASH splash10-05ow-8095000000-be4f029977a4547a6db8
Source of Spectrum J-58-6764-16
Wiley ID 1414693