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8,14-Seco-13.xi.-estra-1,3,5,7,9-pentaene-17-carboxylic acid, 3,6-dimethoxy-14-oxo-, methyl ester
SpectraBase Compound ID 7q4nqklzic3
InChI InChI=1S/C22H26O5/c1-22(18(21(24)27-4)8-10-20(22)23)12-11-14-5-9-19(26-3)17-13-15(25-2)6-7-16(14)17/h5-7,9,13,18H,8,10-12H2,1-4H3
InChIKey PEEPXESFGAWVAH-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QkiVryaexU
Name 8,14-Seco-13.xi.-estra-1,3,5,7,9-pentaene-17-carboxylic acid, 3,6-dimethoxy-14-oxo-, methyl ester
CAS Registry Number 23569-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-22(18(21(24)27-4)8-10-20(22)23)12-11-14-5-9-19(26-3)17-13-15(25-2)6-7-16(14)17/h5-7,9,13,18H,8,10-12H2,1-4H3
InChIKey PEEPXESFGAWVAH-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES CC1(CCc2ccc(c3cc(ccc23)OC)OC)C(CCC1=O)C(=O)OC
SPLASH splash10-0229-0198000000-4157640765ed5ce25ff7
Source of Spectrum T-67-4293-0
Synonyms Methyl 2-[2-(4,6-dimethoxy-1-naphthyl)ethyl]-2-methyl-3-oxocyclopentanecarboxylate 2-[2-(4,6-dimethoxy-1-naphthalenyl)ethyl]-2-methyl-3-oxo-1-cyclopentanecarboxylic acid methyl ester 2-[2-(4,6-dimethoxy-1-naphthyl)ethyl]-3-keto-2-methyl-cyclopentanecarboxylic acid methyl ester Methyl 2-[2-(4,6-dimethoxynaphthalen-1-yl)ethyl]-2-methyl-3-oxidanylidene-cyclopentane-1-carboxylate Methyl 2-[2-(4,6-dimethoxynaphthalen-1-yl)ethyl]-2-methyl-3-oxocyclopentane-1-carboxylate
Wiley ID 1354441