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6-Oxaestra-1,3,5(10),7-tetraen-17-one, 3-methoxy-
SpectraBase Compound ID AycDn909pVI
InChI InChI=1S/C18H20O3/c1-18-8-7-12-13-4-3-11(20-2)9-16(13)21-10-14(12)15(18)5-6-17(18)19/h3-4,9-10,12,15H,5-8H2,1-2H3/t12-,15-,18+/m1/s1
InChIKey MBFYCWWCNNWSIC-DWQUBVKVSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk2cqQYrNub
Name 6-Oxaestra-1,3,5(10),7-tetraen-17-one, 3-methoxy-
Alternate Name(s) (3aR,9bS,11aS)-7-methoxy-11a-methyl-3,3a,9b,10,11,11a-hexahydroindeno[4,5-c]chromen-1(2H)-one 14.beta.-3-methoxy-6-oxaestra-1,3,5(10),7-tetraen-17-one 3-Methoxy-6-oxaestra-1,3,5(10),7-tetraen-17-one Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10),7-tetraen-17-one deriv.
CAS Registry Number 75671-26-0
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-18-8-7-12-13-4-3-11(20-2)9-16(13)21-10-14(12)15(18)5-6-17(18)19/h3-4,9-10,12,15H,5-8H2,1-2H3/t12-,15-,18+/m1/s1
InChIKey MBFYCWWCNNWSIC-DWQUBVKVSA-N
Molecular Weight 284.355 g/mol
SMILES C1=2[C@@]3([C@](C(=O)CC3)(C)CC[C@@]1(c1ccc(cc1OC2)OC)[H])[H]
SPLASH splash10-0019-9540000000-7f71ef267e3fc21607d2
Source of Spectrum I-58-1433-0
Wiley ID 1288244