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Estra-1,3,5(10)-trien-3-ol, 17-(methoxymethoxy)-, (17.beta.)-
SpectraBase Compound ID GrOjLmcaq3s
InChI InChI=1S/C20H28O3/c1-20-10-9-16-15-6-4-14(21)11-13(15)3-5-17(16)18(20)7-8-19(20)23-12-22-2/h4,6,11,16-19,21H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey VSMBZTNWJVYOKE-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 GFzUb9ktkjH
Name Estra-1,3,5(10)-trien-3-ol, 17-(methoxymethoxy)-, (17.beta.)-
Alternate Name(s) (17beta)-17-(methoxymethoxy)estra-1,3,5(10)-trien-3-ol Estra-1,3,5(10)-triene-3,17.beta.-diol 17-methoxymethyl ether
CAS Registry Number 88899-72-3
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(21)11-13(15)3-5-17(16)18(20)7-8-19(20)23-12-22-2/h4,6,11,16-19,21H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19+,20+/m1/s1
InChIKey VSMBZTNWJVYOKE-SLHNCBLASA-N
Molecular Weight 316.441 g/mol
SMILES Oc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(CCc2c1)[H])(CC[C@@]4(OCOC)[H])[H])C)[H]
SPLASH splash10-00l2-9745000000-06c6309f81e5fd3a1203
Source of Spectrum B-40-308-5
Wiley ID 1317097