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3-(Tetrahydropyran-2-yloxy)estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID 3yPA5osNAnL
InChI InChI=1S/C23H30O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/h6,8,14,18-20,22H,2-5,7,9-13H2,1H3/t18?,19?,20?,22?,23-/m0/s1
InChIKey QOSNUXWKMAFZHA-PSWFRXAUSA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IW2RKsJdNkQ
Name 3-(Tetrahydropyran-2-yloxy)estra-1,3,5(10)-trien-17-one
Alternate Name(s) 3-(tetrahydro-2H-pyran-2-yloxy)estra-1,3,5(10)-trien-17-one (13S)-13-methyl-3-(2-oxanyloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (13S)-13-methyl-3-(oxan-2-yloxy)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/h6,8,14,18-20,22H,2-5,7,9-13H2,1H3/t18?,19?,20?,22?,23-/m0/s1
InChIKey QOSNUXWKMAFZHA-PSWFRXAUSA-N
Molecular Weight 354.490 g/mol
SMILES [C@@]12(C(C3CCc4c(C3CC2)ccc(OC2OCCCC2)c4)CCC1=O)C
SPLASH splash10-000i-9210000000-3075a0b71c9aaf3b95e5
Source of Spectrum E1-36-1625-2
Wiley ID 1574672