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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-(2,2-dimethylpropyl)-4-hydroxyhexanoic 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-(2,2-dimethylpropyl)-4-hydroxyhexanoic acid ethyl ester
SpectraBase Compound ID 8MeYpEWZZ0k
InChI InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34+,36-,39-,40+,41-,42-,43-,47-,48+/m0/s1
InChIKey YBCYQXKSBIMFHI-JCSXKYCUSA-N
Mol Weight 741.2 g/mol
Molecular Formula C48H72O4Si
Exact Mass 740.519987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqsqJfNqLzO
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-(2,2-dimethylpropyl)-4-hydroxyhexanoic acid ethyl ester
Alternate Name(s) (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-neopentyl-hexanoic acid ethyl ester 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-(2,2-dimethylpropyl)-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-(2,2-dimethylpropyl)-4-oxidanyl-hexanoate
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Formula C48H72O4Si
InChI InChI=1S/C48H72O4Si/c1-11-51-44(50)34(32-45(3,4)5)30-43(49)33(2)40-24-25-41-39-23-22-35-31-36(26-28-47(35,9)42(39)27-29-48(40,41)10)52-53(46(6,7)8,37-18-14-12-15-19-37)38-20-16-13-17-21-38/h12-22,33-34,36,39-43,49H,11,23-32H2,1-10H3/t33-,34+,36-,39-,40+,41-,42-,43-,47-,48+/m0/s1
InChIKey YBCYQXKSBIMFHI-JCSXKYCUSA-N
Molecular Weight 741.185 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(C)(C)C)[H])[H]
SPLASH splash10-0002-0900004000-09ddd1d8d5283925eac6
Source of Spectrum K-2001-179-17
Wiley ID 1578475