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(4R,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-methylenehexanoic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

(4R,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-methylenehexanoic acid ethyl ester
SpectraBase Compound ID GyU6zlfZlnu
InChI InChI=1S/C44H62O4Si/c1-9-47-41(46)30(2)28-40(45)31(3)37-22-23-38-36-21-20-32-29-33(24-26-43(32,7)39(36)25-27-44(37,38)8)48-49(42(4,5)6,34-16-12-10-13-17-34)35-18-14-11-15-19-35/h10-20,31,33,36-40,45H,2,9,21-29H2,1,3-8H3/t31-,33-,36-,37+,38-,39-,40+,43-,44+/m0/s1
InChIKey UXHALZVYFHWRDZ-LRMKBIOHSA-N
Mol Weight 683.1 g/mol
Molecular Formula C44H62O4Si
Exact Mass 682.441737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KkIR1CEHnRr
Name (4R,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-methylenehexanoic acid ethyl ester
Alternate Name(s) 2-[(2R,3S)-3-[(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-hydroxy-butyl]acrylic acid ethyl ester Ethyl (4R,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-methylidene-4-oxidanyl-hexanoate Ethyl (4R,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-methylene-hexanoate Ethyl (4R,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-methylidenehexanoate
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Formula C44H62O4Si
InChI InChI=1S/C44H62O4Si/c1-9-47-41(46)30(2)28-40(45)31(3)37-22-23-38-36-21-20-32-29-33(24-26-43(32,7)39(36)25-27-44(37,38)8)48-49(42(4,5)6,34-16-12-10-13-17-34)35-18-14-11-15-19-35/h10-20,31,33,36-40,45H,2,9,21-29H2,1,3-8H3/t31-,33-,36-,37+,38-,39-,40+,43-,44+/m0/s1
InChIKey UXHALZVYFHWRDZ-LRMKBIOHSA-N
Molecular Weight 683.061 g/mol
SMILES O[C@](CC(C(=O)OCC)=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])[H]
SPLASH splash10-004j-0800494000-10c2fc1a342fbe569deb
Source of Spectrum K-2001-178-7
Wiley ID 1578372