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Diphenylmethyl (2E,4E,7R,12R,13S)-12,13-epoxy-3,5,7-trimethylpentadeca-2,4,14-trienoate

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Diphenylmethyl (2E,4E,7R,12R,13S)-12,13-epoxy-3,5,7-trimethylpentadeca-2,4,14-trienoate
SpectraBase Compound ID DPQxEx4bfsZ
InChI InChI=1S/C31H38O3/c1-5-28-29(33-28)19-13-12-14-23(2)20-24(3)21-25(4)22-30(32)34-31(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h5-11,15-18,21-23,28-29,31H,1,12-14,19-20H2,2-4H3/b24-21+,25-22+/t23-,28+,29-/m1/s1
InChIKey PUPUOOYLZUHETO-BYIBVIGWSA-N
Mol Weight 458.6 g/mol
Molecular Formula C31H38O3
Exact Mass 458.282095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ABwkc1giyB
Name Diphenylmethyl (2E,4E,7R,12R,13S)-12,13-epoxy-3,5,7-trimethylpentadeca-2,4,14-trienoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.282095081 u
Formula C31H38O3
InChI InChI=1S/C31H38O3/c1-5-28-29(33-28)19-13-12-14-23(2)20-24(3)21-25(4)22-30(32)34-31(26-15-8-6-9-16-26)27-17-10-7-11-18-27/h5-11,15-18,21-23,28-29,31H,1,12-14,19-20H2,2-4H3/b24-21+,25-22+/t23-,28+,29-/m1/s1
InChIKey PUPUOOYLZUHETO-BYIBVIGWSA-N
Molecular Weight 458.642 g/mol
SMILES [C@@]1(O[C@@]1(CCCC[C@](C\C(=C\C(=C\C(OC(C1=CC=CC=C1)C=1C=CC=CC1)=O)C)C)(C)[H])[H])(C=C)[H]