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(3aS,5aR,6S,9aS,9a1R,11aS)-6-((tert-butyldimethylsilyloxy)methyl)-6,9a-dimethyl-11-methylenetetradecahydro-1H-cyclobuta[d]phenanthren-1-one

View entire compound with spectra: 1 MS (GC)

(3aS,5aR,6S,9aS,9a1R,11aS)-6-((tert-butyldimethylsilyloxy)methyl)-6,9a-dimethyl-11-methylenetetradecahydro-1H-cyclobuta[d]phenanthren-1-one
SpectraBase Compound ID 6FWswvQbWug
InChI InChI=1S/C26H44O2Si/c1-18-16-26-19(10-12-20(27)22(18)26)11-13-21-24(5,14-9-15-25(21,26)6)17-28-29(7,8)23(2,3)4/h19,21-22H,1,9-17H2,2-8H3/t19-,21+,22-,24-,25+,26-/m1/s1
InChIKey VEHGUAKSFDIDAC-JUQGDMHTSA-N
Mol Weight 416.7 g/mol
Molecular Formula C26H44O2Si
Exact Mass 416.311057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LaQ0YgxQ266
Name (3aS,5aR,6S,9aS,9a1R,11aS)-6-((tert-butyldimethylsilyloxy)methyl)-6,9a-dimethyl-11-methylenetetradecahydro-1H-cyclobuta[d]phenanthren-1-one
Appearance White powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H44O2Si
InChI InChI=1S/C26H44O2Si/c1-18-16-26-19(10-12-20(27)22(18)26)11-13-21-24(5,14-9-15-25(21,26)6)17-28-29(7,8)23(2,3)4/h19,21-22H,1,9-17H2,2-8H3/t19-,21+,22-,24-,25+,26-/m1/s1
InChIKey VEHGUAKSFDIDAC-JUQGDMHTSA-N
Instrument Name Shimadzu GCMS-QP5000
Ionization Type EI
Literature Reference DOI 10.1021/np300518j
Molecular Weight 416.721 g/mol
Optical Rotation [a]25D = +9.0 (c = 3.1, CCl4)
Reported Formula C26H44O2Si
SMILES C1C[C@@]([C@]2([C@](C1)([C@@]13[C@@](CC2)(CCC([C@]3(C(C1)=C)[H])=O)[H])C)[H])(CO[Si](C(C)(C)C)(C)C)C
SPLASH splash10-056r-9500000000-cec940794cf939e7158b
Source of Spectrum G4-75-1947-(+)-9
Wiley ID 1867527