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Estra-1,3,5(10)-triene-16,17-diol, 3-(2-methoxyethoxy)-, (16.alpha.,17.beta.)-
SpectraBase Compound ID GjY8f0eLJaq
InChI InChI=1S/C21H30O4/c1-21-8-7-16-15-6-4-14(25-10-9-24-2)11-13(15)3-5-17(16)18(21)12-19(22)20(21)23/h4,6,11,16-20,22-23H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19-,20+,21+/m1/s1
InChIKey BFPRIWSNRHYKPC-YQPXSLGVSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQGzUyDMUmM
Name Estra-1,3,5(10)-triene-16,17-diol, 3-(2-methoxyethoxy)-, (16.alpha.,17.beta.)-
CAS Registry Number 123715-88-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-21-8-7-16-15-6-4-14(25-10-9-24-2)11-13(15)3-5-17(16)18(21)12-19(22)20(21)23/h4,6,11,16-20,22-23H,3,5,7-10,12H2,1-2H3/t16-,17-,18+,19-,20+,21+/m1/s1
InChIKey BFPRIWSNRHYKPC-YQPXSLGVSA-N
Molecular Weight 346.467 g/mol
SMILES O[C@]1([C@@](C[C@@]2([C@@]1(CC[C@@]1(c3c(CC[C@@]21[H])cc(cc3)OCCOC)[H])C)[H])(O)[H])[H]
SPLASH splash10-052b-7609000000-83b4508aca0c82aa47af
Source of Spectrum B-42-418-21
Synonyms (16alpha,17beta)-3-(2-methoxyethoxy)estra-1,3,5(10)-triene-16,17-diol Estra-1,3,5(10)-triene-3,16.alpha.,17.beta.-triol 3-methoxyethylether
Wiley ID 1339499