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(5Z,7E)-(1S,3R,20S)-1,3-bis[(tert-butyldimethylsilyl)oxy]-9,10-seco-22,23-dinor-5,7,10(19)-cholatrien-24-al

View entire compound with spectra: 1 MS (GC)

(5Z,7E)-(1S,3R,20S)-1,3-bis[(tert-butyldimethylsilyl)oxy]-9,10-seco-22,23-dinor-5,7,10(19)-cholatrien-24-al
SpectraBase Compound ID HgNzRAmIIo3
InChI InChI=1S/C34H60O3Si2/c1-24(23-35)29-18-19-30-26(15-14-20-34(29,30)9)16-17-27-21-28(36-38(10,11)32(3,4)5)22-31(25(27)2)37-39(12,13)33(6,7)8/h16-17,23-24,28-31H,2,14-15,18-22H2,1,3-13H3/b26-16+,27-17-/t24-,28-,29-,30+,31+,34-/m1/s1
InChIKey CBBPZOZLUNXNDK-FLJNKPCASA-N
Mol Weight 573.0 g/mol
Molecular Formula C34H60O3Si2
Exact Mass 572.408099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LuqdUAgYzj
Name (5Z,7E)-(1S,3R,20S)-1,3-bis[(tert-butyldimethylsilyl)oxy]-9,10-seco-22,23-dinor-5,7,10(19)-cholatrien-24-al
CAS Registry Number 112924-91-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H60O3Si2
InChI InChI=1S/C34H60O3Si2/c1-24(23-35)29-18-19-30-26(15-14-20-34(29,30)9)16-17-27-21-28(36-38(10,11)32(3,4)5)22-31(25(27)2)37-39(12,13)33(6,7)8/h16-17,23-24,28-31H,2,14-15,18-22H2,1,3-13H3/b26-16+,27-17-/t24-,28-,29-,30+,31+,34-/m1/s1
InChIKey CBBPZOZLUNXNDK-FLJNKPCASA-N
Molecular Weight 573.021 g/mol
SMILES [C@]12([C@](\C(=C\C=C/3C([C@@](O[Si](C(C)(C)C)(C)C)(C[C@@](C3)(O[Si](C(C)(C)C)(C)C)[H])[H])=C)CCC1)(CC[C@@]2([C@@](C=O)(C)[H])[H])[H])C
SPLASH splash10-0005-0092420000-c8e801922d4d64ba2d67
Source of Spectrum J-53-3456-7
Synonyms (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]propanal (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]propanal (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]propanal (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]propanal (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]propanal
Wiley ID 1407896