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6-Oxaestra-1,3,5(10),8-tetraen-7-one, 17-(acetyloxy)-3-methoxy-, (17.beta.)-(.+-.)-
SpectraBase Compound ID KIvLzftXxm2
InChI InChI=1S/C20H22O5/c1-11(21)24-17-7-6-15-18-14(8-9-20(15,17)2)13-5-4-12(23-3)10-16(13)25-19(18)22/h4-5,10,15,17H,6-9H2,1-3H3/t15-,17-,20-/m0/s1
InChIKey WROOKCHTROLMCJ-KNBMTAEXSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IxtpyeLjKqn
Name 6-Oxaestra-1,3,5(10),8-tetraen-7-one, 17-(acetyloxy)-3-methoxy-, (17.beta.)-(.+-.)-
CAS Registry Number 127728-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-11(21)24-17-7-6-15-18-14(8-9-20(15,17)2)13-5-4-12(23-3)10-16(13)25-19(18)22/h4-5,10,15,17H,6-9H2,1-3H3/t15-,17-,20-/m0/s1
InChIKey WROOKCHTROLMCJ-KNBMTAEXSA-N
Molecular Weight 342.391 g/mol
SMILES C12=C(c3ccc(cc3OC2=O)OC)CC[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C
SPLASH splash10-0006-3495000000-591eb9da20f1864304b5
Source of Spectrum B-42-1777-13
Synonyms Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10),8-tetraen-7-one deriv. (+-)-17.beta.-acetoxy-3-methoxy-6-oxaestra-1,3,5(10),8(9)-tetraen-7-one (1S,3aR,11aS)-7-methoxy-11a-methyl-4-oxo-1,2,3,3a,4,10,11,11a-octahydroindeno[4,5-c]chromen-1-yl acetate
Wiley ID 1336662