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(13S)-3-methoxy-13-methyl-16-(6-(tetrahydro-2H-pyran-2-yloxy)hexyl)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
SpectraBase Compound ID Mr2y5IAL9S
InChI InChI=1S/C30H44O4/c1-30-16-15-25-24-14-12-23(32-2)19-21(24)11-13-26(25)27(30)20-22(29(30)31)9-5-3-4-7-17-33-28-10-6-8-18-34-28/h12,14,19,22,25-28H,3-11,13,15-18,20H2,1-2H3/t22?,25?,26?,27?,28?,30-/m0/s1
InChIKey PCOCEFKRKNDRQU-ZXOXKHRKSA-N
Mol Weight 468.7 g/mol
Molecular Formula C30H44O4
Exact Mass 468.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6j0CV3w0saL
Name (13S)-3-methoxy-13-methyl-16-(6-(tetrahydro-2H-pyran-2-yloxy)hexyl)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one
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Formula C30H44O4
InChI InChI=1S/C30H44O4/c1-30-16-15-25-24-14-12-23(32-2)19-21(24)11-13-26(25)27(30)20-22(29(30)31)9-5-3-4-7-17-33-28-10-6-8-18-34-28/h12,14,19,22,25-28H,3-11,13,15-18,20H2,1-2H3/t22?,25?,26?,27?,28?,30-/m0/s1
InChIKey PCOCEFKRKNDRQU-ZXOXKHRKSA-N
Molecular Weight 468.678 g/mol
SMILES [C@@]12(C(C3CCc4c(C3CC2)ccc(OC)c4)CC(C1=O)CCCCCCOC1OCCCC1)C
SPLASH splash10-053u-4191000000-267b8e6a20a0e5f6920c
Source of Spectrum G2-3-519-27
Synonyms 6-[3'-methoxy-17'-oxo-1',3',5'(10')-estratrien-16'-.alpha./.beta.-yl]-1-[(tetrahydro-2'H-pyran-2'-yl)oxy]hexane 6-[3-methoxy-17-oxo-1,3,5(10)-estratrien-16-yl]-1-[(tetrahydro-2H-pyran-2-yl)oxy]hexane
Wiley ID 1661454