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D-Homo-14.beta.-estra-1,3,5(10),8-tetraen-17a-one, 3-methoxy-
SpectraBase Compound ID 87wEYFd3ifL
InChI InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18H,3-6,8,10-11H2,1-2H3/t18-,20+/m1/s1
InChIKey CDCUHRTZLOKMFC-QUCCMNQESA-N
Mol Weight 296.41 g/mol
Molecular Formula C20H24O2
Exact Mass 296.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDTIx5CfjNP
Name D-Homo-14.beta.-estra-1,3,5(10),8-tetraen-17a-one, 3-methoxy-
CAS Registry Number 6570-44-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O2
InChI InChI=1S/C20H24O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,18H,3-6,8,10-11H2,1-2H3/t18-,20+/m1/s1
InChIKey CDCUHRTZLOKMFC-QUCCMNQESA-N
Molecular Weight 296.410 g/mol
SMILES C12=C(c3ccc(cc3CC2)OC)CC[C@]2([C@@]1(CCCC2=O)[H])C
SPLASH splash10-0002-0090000000-ee7fe7a67b12b7e2e983
Source of Spectrum F-46-8150-3
Synonyms D-Homoestra-1,3,5(10),8-tetraen-17a-one, 3-methoxy-, (14.beta.)- (4aR,12aS)-8-methoxy-12a-methyl-3,4,4a,5,6,11,12,12a-octahydro-1(2H)-chrysenone 3-Methoxy-17a-homo-14.beta.-estra-1,3,5(10),8-tetraen-17a-one
Wiley ID 1299651