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(+,-)-17b-t-butoxy-7(8->11)abeo-estra-1,3,5(10),9(11)-tetraen-3-ol
SpectraBase Compound ID 7AgrqRVSGjL
InChI InChI=1S/C22H30O2/c1-21(2,3)24-20-10-7-16-12-19-15(13-22(16,20)4)6-5-14-11-17(23)8-9-18(14)19/h8-9,11,16,20,23H,5-7,10,12-13H2,1-4H3/t16?,20-,22?/m0/s1
InChIKey CUEMYLUZYQLLSJ-BRFBUHTJSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEIjRrG2zKY
Name (+,-)-17b-t-butoxy-7(8->11)abeo-estra-1,3,5(10),9(11)-tetraen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-21(2,3)24-20-10-7-16-12-19-15(13-22(16,20)4)6-5-14-11-17(23)8-9-18(14)19/h8-9,11,16,20,23H,5-7,10,12-13H2,1-4H3/t16?,20-,22?/m0/s1
InChIKey CUEMYLUZYQLLSJ-BRFBUHTJSA-N
Molecular Weight 326.480 g/mol
SMILES Oc1ccc2C3=C(CC4(C(C3)CC[C@@]4(OC(C)(C)C)[H])C)CCc2c1
SPLASH splash10-0fb9-2195000000-07b745df803c8b711a26
Source of Spectrum B-45-71-0
Synonyms (8S)-8-tert-butoxy-7a-methyl-6,7,7a,8,9,10,10a,11-octahydro-5H-cyclopenta[b]phenanthren-3-ol
Wiley ID 1325235