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5H-Inden-5-one, 1-(1,1-dimethylethoxy)-1,2,3,6,7,7a-hexahydro-4-[2-(3-methoxyphenyl)e thyl]-7a-methyl-, (1S-cis)-
SpectraBase Compound ID L3PMgMiWPcP
InChI InChI=1S/C23H32O3/c1-22(2,3)26-21-12-11-19-18(20(24)13-14-23(19,21)4)10-9-16-7-6-8-17(15-16)25-5/h6-8,15,21H,9-14H2,1-5H3/t21-,23-/m0/s1
InChIKey JTZAAIXULXQVHF-GMAHTHKFSA-N
Mol Weight 356.5 g/mol
Molecular Formula C23H32O3
Exact Mass 356.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42qjiTdUMLZ
Name 5H-Inden-5-one, 1-(1,1-dimethylethoxy)-1,2,3,6,7,7a-hexahydro-4-[2-(3-methoxyphenyl)e thyl]-7a-methyl-, (1S-cis)-
CAS Registry Number 73593-68-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32O3
InChI InChI=1S/C23H32O3/c1-22(2,3)26-21-12-11-19-18(20(24)13-14-23(19,21)4)10-9-16-7-6-8-17(15-16)25-5/h6-8,15,21H,9-14H2,1-5H3/t21-,23-/m0/s1
InChIKey JTZAAIXULXQVHF-GMAHTHKFSA-N
Molecular Weight 356.506 g/mol
SMILES C=12[C@@]([C@@](OC(C)(C)C)(CC2)[H])(CCC(C1CCc1cc(OC)ccc1)=O)C
SPLASH splash10-0kmi-6908000000-9a13d920a04c60b4a011
Source of Spectrum K-113-388-0
Synonyms (+)-(1S,7aS)-1-tert-Butoxy-1,2,3,6,7,7a-hexahydro-4-[2-(3-methoxyphenyl)ethyl]-7a-methyl-5H-inden-5-one (17beta)-17-tert-butoxy-1-methoxy-9,10-secoestra-1(10),2,4,8(14)-tetraen-9-one
Wiley ID 1346151