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(1S)-2-Hydroxy-1,2,2-triphenylethyl (3S,5E)-5-Ethyl-3-hydroxy-4,4-dimethyl-5-heptenoate

View entire compound with spectra: 1 MS (GC)

(1S)-2-Hydroxy-1,2,2-triphenylethyl (3S,5E)-5-Ethyl-3-hydroxy-4,4-dimethyl-5-heptenoate
SpectraBase Compound ID 9qNKOhUpqa
InChI InChI=1S/C31H36O4/c1-5-24(6-2)30(3,4)27(32)22-28(33)35-29(23-16-10-7-11-17-23)31(34,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h5,7-21,27,29,32,34H,6,22H2,1-4H3/b24-5+/t27-,29-/m0/s1
InChIKey MQEVOCGOOBGREO-HQEKVMACSA-N
Mol Weight 472.6 g/mol
Molecular Formula C31H36O4
Exact Mass 472.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZbOdpB9yQA
Name (1S)-2-Hydroxy-1,2,2-triphenylethyl (3S,5E)-5-Ethyl-3-hydroxy-4,4-dimethyl-5-heptenoate
Alternate Name(s) (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-5-heptenoic acid[(1S)-2-hydroxy-1,2,2-triphenylethyl]ester (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-hept-5-enoic acid[(1S)-2-hydroxy-1,2,2-triphenyl-ethyl]ester [(1S)-2-hydroxy-1,2,2-triphenyl-ethyl](E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-hept-5-enoate [(1S)-2-oxidanyl-1,2,2-triphenyl-ethyl](E,3S)-5-ethyl-4,4-dimethyl-3-oxidanyl-hept-5-enoate (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-5-heptenoic acid [(1S)-2-hydroxy-1,2,2-triphenylethyl] ester [(1S)-2-hydroxy-1,2,2-triphenylethyl] (E,3S)-5-ethyl-3-hydroxy-4,4-dimethylhept-5-enoate [(1S)-2-hydroxy-1,2,2-triphenyl-ethyl] (E,3S)-5-ethyl-3-hydroxy-4,4-dimethyl-hept-5-enoate [(1S)-2-oxidanyl-1,2,2-triphenyl-ethyl] (E,3S)-5-ethyl-4,4-dimethyl-3-oxidanyl-hept-5-enoate
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Formula C31H36O4
InChI InChI=1S/C31H36O4/c1-5-24(6-2)30(3,4)27(32)22-28(33)35-29(23-16-10-7-11-17-23)31(34,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h5,7-21,27,29,32,34H,6,22H2,1-4H3/b24-5+/t27-,29-/m0/s1
InChIKey MQEVOCGOOBGREO-HQEKVMACSA-N
Molecular Weight 472.625 g/mol
SMILES OC([C@@](OC(C[C@@](C(\C(=C\C)CC)(C)C)(O)[H])=O)(c1ccccc1)[H])(c1ccccc1)c1ccccc1
SPLASH splash10-0089-0940000000-3c22c7d44c04542063b0
Source of Spectrum QE-5-2487-10
Wiley ID 844296