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6-Oxaestra-1,3,5(10),8-tetraen-7-one, 3,17-dihydroxy-, (17.beta.)-
SpectraBase Compound ID 6V0w16qZKW1
InChI InChI=1S/C17H18O4/c1-17-7-6-11-10-3-2-9(18)8-13(10)21-16(20)15(11)12(17)4-5-14(17)19/h2-3,8,12,14,18-19H,4-7H2,1H3/t12-,14-,17-/m0/s1
InChIKey QJBGXDPXJZXEMJ-JDFRZJQESA-N
Mol Weight 286.33 g/mol
Molecular Formula C17H18O4
Exact Mass 286.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EatsC3FHV4
Name 6-Oxaestra-1,3,5(10),8-tetraen-7-one, 3,17-dihydroxy-, (17.beta.)-
CAS Registry Number 82738-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4
InChI InChI=1S/C17H18O4/c1-17-7-6-11-10-3-2-9(18)8-13(10)21-16(20)15(11)12(17)4-5-14(17)19/h2-3,8,12,14,18-19H,4-7H2,1H3/t12-,14-,17-/m0/s1
InChIKey QJBGXDPXJZXEMJ-JDFRZJQESA-N
Molecular Weight 286.327 g/mol
SMILES Oc1ccc2C3=C([C@]4([C@@]([C@](CC4)(O)[H])(CC3)C)[H])C(Oc2c1)=O
SPLASH splash10-004r-0590000000-8d247825adecdb21c9dc
Source of Spectrum B-35-808-0
Synonyms (1S,3aR,11aS)-1,7-dihydroxy-11a-methyl-2,3,3a,10,11,11a-hexahydroindeno[4,5-c]chromen-4(1H)-one 3,17.beta.-dihydroxy-6-oxaoestra-1,3,5(10),8(9)-tetraen-7-one Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10),8-tetraen-7-one deriv.
Wiley ID 1289990