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(5Z,7E)-(1S,3R,20S)-1,3-bis[(tert-butyldimethylsilyl)oxy]-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(5Z,7E)-(1S,3R,20S)-1,3-bis[(tert-butyldimethylsilyl)oxy]-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester
SpectraBase Compound ID CFCNLtQUWPO
InChI InChI=1S/C35H62O4Si2/c1-24-27(18-17-26-16-15-21-35(9)29(19-20-30(26)35)25(2)32(36)37-10)22-28(38-40(11,12)33(3,4)5)23-31(24)39-41(13,14)34(6,7)8/h17-18,25,28-31H,1,15-16,19-23H2,2-14H3/b26-17+,27-18-/t25-,28+,29+,30-,31-,35+/m0/s1
InChIKey IPBTVOYEXNZEQM-PFGIVUOVSA-N
Mol Weight 603.0 g/mol
Molecular Formula C35H62O4Si2
Exact Mass 602.418664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cm8XxpU3imr
Name (5Z,7E)-(1S,3R,20S)-1,3-bis[(tert-butyldimethylsilyl)oxy]-9,10-seco-5,7,10(19)-pregnatriene-20-carboxylic acid methyl ester
CAS Registry Number 114694-11-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H62O4Si2
InChI InChI=1S/C35H62O4Si2/c1-24-27(18-17-26-16-15-21-35(9)29(19-20-30(26)35)25(2)32(36)37-10)22-28(38-40(11,12)33(3,4)5)23-31(24)39-41(13,14)34(6,7)8/h17-18,25,28-31H,1,15-16,19-23H2,2-14H3/b26-17+,27-18-/t25-,28+,29+,30-,31-,35+/m0/s1
InChIKey IPBTVOYEXNZEQM-PFGIVUOVSA-N
Molecular Weight 603.047 g/mol
SMILES [C@@]12([C@@]([C@@](C(=O)OC)(C)[H])(CC[C@]2(\C(=C\C=C/2C([C@@](O[Si](C(C)(C)C)(C)C)(C[C@@](C2)(O[Si](C(C)(C)C)(C)C)[H])[H])=C)CCC1)[H])[H])C
SPLASH splash10-006t-0090501000-f3db49066b4a3ac2072c
Source of Spectrum J-53-3454-4
Synonyms Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-{2-[(1Z,3S,5R)-3,5-bis[(tert-butyldimethylsilyl)oxy]-2-methylidenecyclohexylidene]ethylidene}-7a-methyl-octahydro-1H-inden-1-yl]propanoate (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoic acid methyl ester Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate Methyl (2S)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propanoate
Wiley ID 1410327