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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]-4-hydroxy-2-propyl-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]-4-hydroxy-2-propyl-hexanoic acid ethyl ester
SpectraBase Compound ID FDx1bJVeg25
InChI InChI=1S/C46H68O4Si/c1-9-17-33(43(48)49-10-2)30-42(47)32(3)39-24-25-40-38-23-22-34-31-35(26-28-45(34,7)41(38)27-29-46(39,40)8)50-51(44(4,5)6,36-18-13-11-14-19-36)37-20-15-12-16-21-37/h11-16,18-22,32-33,35,38-42,47H,9-10,17,23-31H2,1-8H3/t32-,33-,35-,38-,39+,40-,41-,42-,45-,46+/m0/s1
InChIKey YTPHVHNYWILJGC-HSPSUPDASA-N
Mol Weight 713.1 g/mol
Molecular Formula C46H68O4Si
Exact Mass 712.488687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bknyk99ssTP
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]-4-hydroxy-2-propyl-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]-4-hydroxy-2-propyl-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]-4-oxidanyl-2-propyl-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]-4-hydroxy-2-propylhexanoic acid ethyl ester
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Formula C46H68O4Si
InChI InChI=1S/C46H68O4Si/c1-9-17-33(43(48)49-10-2)30-42(47)32(3)39-24-25-40-38-23-22-34-31-35(26-28-45(34,7)41(38)27-29-46(39,40)8)50-51(44(4,5)6,36-18-13-11-14-19-36)37-20-15-12-16-21-37/h11-16,18-22,32-33,35,38-42,47H,9-10,17,23-31H2,1-8H3/t32-,33-,35-,38-,39+,40-,41-,42-,45-,46+/m0/s1
InChIKey YTPHVHNYWILJGC-HSPSUPDASA-N
Molecular Weight 713.131 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)(CCC)[H])[H]
SPLASH splash10-0002-0900203000-755173229dc3c1f3d906
Source of Spectrum K-2001-179-15
Wiley ID 1578479