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3-Hydroxy-6-oxaestra-1,3,5(10),7-tetraen-17-one
SpectraBase Compound ID Kymknoh1PuP
InChI InChI=1S/C17H18O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8-9,11,14,18H,4-7H2,1H3/t11-,14+,17+/m1/s1
InChIKey NAICEIPYZQNVIJ-WHCBVINPSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KI9ILBKroCk
Name 3-Hydroxy-6-oxaestra-1,3,5(10),7-tetraen-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-17-7-6-11-12-3-2-10(18)8-15(12)20-9-13(11)14(17)4-5-16(17)19/h2-3,8-9,11,14,18H,4-7H2,1H3/t11-,14+,17+/m1/s1
InChIKey NAICEIPYZQNVIJ-WHCBVINPSA-N
Molecular Weight 270.328 g/mol
SMILES Oc1cc2OC=C3[C@]4([C@](C(=O)CC4)(C)CC[C@@]3(c2cc1)[H])[H]
SPLASH splash10-00di-0960000000-a0802e9ee0dea8d9229b
Source of Spectrum I-58-1433-0
Synonyms (3aS,9bS,11aS)-7-hydroxy-11a-methyl-3,3a,9b,10,11,11a-hexahydroindeno[4,5-c]chromen-1(2H)-one
Wiley ID 1274574