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rac-3-methoxy-4.alpha.-hydroxy-9(11)-secoestra-1,3,5(10),6,8-pentaen-11,17.beta.-dioic acid lactone (11 to 14)
SpectraBase Compound ID 9OTdKxks2NV
InChI InChI=1S/C20H20O5/c1-19-11-17(21)25-20(19,8-7-16(19)18(22)23)14-5-3-13-10-15(24-2)6-4-12(13)9-14/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,23)/t16-,19?,20-/m1/s1
InChIKey UXGXASURDFWMIC-ZNCRQWOUSA-N
Mol Weight 340.38 g/mol
Molecular Formula C20H20O5
Exact Mass 340.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63OfLuKJBCG
Name rac-3-methoxy-4.alpha.-hydroxy-9(11)-secoestra-1,3,5(10),6,8-pentaen-11,17.beta.-dioic acid lactone (11 to 14)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O5
InChI InChI=1S/C20H20O5/c1-19-11-17(21)25-20(19,8-7-16(19)18(22)23)14-5-3-13-10-15(24-2)6-4-12(13)9-14/h3-6,9-10,16H,7-8,11H2,1-2H3,(H,22,23)/t16-,19?,20-/m1/s1
InChIKey UXGXASURDFWMIC-ZNCRQWOUSA-N
Molecular Weight 340.375 g/mol
SMILES OC([C@@]1(C2([C@](OC(=O)C2)(c2cc3ccc(cc3cc2)OC)CC1)C)[H])=O
SPLASH splash10-000f-0649000000-ae1cdc8dfbf6ccc93a4a
Source of Spectrum F-32-84-2
Synonyms (4S,6aS)-6a-(6-methoxy-2-naphthyl)-3a-methyl-2-oxohexahydro-2H-cyclopenta[b]furan-4-carboxylic acid
Wiley ID 1335226