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3,3-(Ethylenedioxy)-5(10),9(11)-estradien-17.beta.-ol
SpectraBase Compound ID 6YrL2j22S6Q
InChI InChI=1S/C20H28O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-18,21H,2-5,7-12H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKey HBALUDUEPPHSAX-BTRQGYIVSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtzEv6p37cT
Name 3,3-(Ethylenedioxy)-5(10),9(11)-estradien-17.beta.-ol
Alternate Name(s) (14'S,15'S)-15'-methylspiro[1,3-dioxolane-2,5'-tetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane]-1'(17'),2'(7')-dien-14'-ol (13'S,17'S)-13'-methyl-17'-spiro[1,3-dioxolane-2,3'-2,4,6,7,8,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene]ol
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Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-19-8-6-15-14-7-9-20(22-10-11-23-20)12-13(14)2-3-16(15)17(19)4-5-18(19)21/h6,16-18,21H,2-5,7-12H2,1H3/t16?,17?,18-,19-/m0/s1
InChIKey HBALUDUEPPHSAX-BTRQGYIVSA-N
Molecular Weight 316.441 g/mol
SMILES O[C@@]1([C@]2(CC=C3C4=C(CC5(CC4)OCCO5)CCC3C2CC1)C)[H]
SPLASH splash10-00kn-6942000000-eba3f48492d16553abab
Source of Spectrum E1-35-2126-43
Wiley ID 1574338