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(S)-2-[4-((S)-7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)-benzoylamino]-3-phenyl-propionic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(S)-2-[4-((S)-7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)-benzoylamino]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID FRWfMeOULbT
InChI InChI=1S/C33H39NO4/c1-20(2)24-18-26(21(3)4)29-27(19-24)32(5,6)33(29,37)25-15-13-23(14-16-25)30(35)34-28(31(36)38-7)17-22-11-9-8-10-12-22/h8-16,18-21,28,37H,17H2,1-7H3,(H,34,35)/t28-,33-/m0/s1
InChIKey QMUBBTHDQAUZMT-UVMMSNCQSA-N
Mol Weight 513.7 g/mol
Molecular Formula C33H39NO4
Exact Mass 513.287909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BsBGRdYUg7Y
Name (S)-2-[4-((S)-7-Hydroxy-3,5-diisopropyl-8,8-dimethyl-bicyclo[4.2.0]octa-1(6),2,4-trien-7-yl)-benzoylamino]-3-phenyl-propionic acid methyl ester
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Formula C33H39NO4
InChI InChI=1S/C33H39NO4/c1-20(2)24-18-26(21(3)4)29-27(19-24)32(5,6)33(29,37)25-15-13-23(14-16-25)30(35)34-28(31(36)38-7)17-22-11-9-8-10-12-22/h8-16,18-21,28,37H,17H2,1-7H3,(H,34,35)/t28-,33-/m0/s1
InChIKey QMUBBTHDQAUZMT-UVMMSNCQSA-N
Molecular Weight 513.678 g/mol
SMILES N(C(c1ccc([C@@]2(c3c(cc(cc3C2(C)C)C(C)C)C(C)C)O)cc1)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-0a4i-0009000000-11fe06a1476e5b450d3a
Source of Spectrum J-63-5647-p-2a
Wiley ID 1400996