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(2S,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-4-hydroxy-hexanoic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(2S,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-4-hydroxy-hexanoic acid ethyl ester
SpectraBase Compound ID Jex8bikchSI
InChI InChI=1S/C45H66O4Si/c1-9-32(42(47)48-10-2)29-41(46)31(3)38-23-24-39-37-22-21-33-30-34(25-27-44(33,7)40(37)26-28-45(38,39)8)49-50(43(4,5)6,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-21,31-32,34,37-41,46H,9-10,22-30H2,1-8H3/t31-,32-,34-,37-,38+,39-,40-,41-,44-,45+/m0/s1
InChIKey UFQJKSNBQGQNHA-WQLKQCABSA-N
Mol Weight 699.1 g/mol
Molecular Formula C45H66O4Si
Exact Mass 698.473037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYuaT2Qwq9X
Name (2S,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-4-hydroxy-hexanoic acid ethyl ester
Alternate Name(s) Ethyl (2S,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-4-hydroxy-hexanoate Ethyl (2S,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-4-oxidanyl-hexanoate (2S,4S,5S)-5-[(3S,8S,9S,10R,13S,14S,17R)-3-[tert-butyl(diphenyl)silyl]oxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-ethyl-4-hydroxyhexanoic acid ethyl ester
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Formula C45H66O4Si
InChI InChI=1S/C45H66O4Si/c1-9-32(42(47)48-10-2)29-41(46)31(3)38-23-24-39-37-22-21-33-30-34(25-27-44(33,7)40(37)26-28-45(38,39)8)49-50(43(4,5)6,35-17-13-11-14-18-35)36-19-15-12-16-20-36/h11-21,31-32,34,37-41,46H,9-10,22-30H2,1-8H3/t31-,32-,34-,37-,38+,39-,40-,41-,44-,45+/m0/s1
InChIKey UFQJKSNBQGQNHA-WQLKQCABSA-N
Molecular Weight 699.104 g/mol
SMILES O[C@]([C@]([C@@]1([C@@]2([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](O[Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(C4)[H])C)[H])(CC1)[H])C)[H])(C)[H])(C[C@@](C(=O)OCC)(CC)[H])[H]
SPLASH splash10-0002-0900220000-d1bff974a013609b26ad
Source of Spectrum K-2001-178-14
Wiley ID 1578480