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Estra-1,3,5(10)-trien-17-ol, 3-(methoxymethoxy)-, (17.beta.)-
SpectraBase Compound ID KlY9cmjlYRV
InChI InChI=1S/C20H28O3/c1-20-10-9-16-15-6-4-14(23-12-22-2)11-13(15)3-5-17(16)18(20)7-8-19(20)21/h4,6,11,16-19,21H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey GMIOJXOFMPMPON-SLHNCBLASA-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 64c5q6CDOCW
Name Estra-1,3,5(10)-trien-17-ol, 3-(methoxymethoxy)-, (17.beta.)-
Alternate Name(s) Estra-1,3,5(10)-trien-17.beta.-ol, 3-(methoxymethoxy)- (17beta)-3-(methoxymethoxy)estra-1,3,5(10)-trien-17-ol Estra-1,3,5(10)-triene-3,17.beta.-diol 3-methoxymethyl ether
CAS Registry Number 32158-57-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-20-10-9-16-15-6-4-14(23-12-22-2)11-13(15)3-5-17(16)18(20)7-8-19(20)21/h4,6,11,16-19,21H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey GMIOJXOFMPMPON-SLHNCBLASA-N
Molecular Weight 316.441 g/mol
SMILES O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCOC)c4)[H])(CC1)[H])C)[H]
SPLASH splash10-00kb-9005000000-48821e5c13f9c1633fac
Source of Spectrum B-40-308-4
Wiley ID 1317096