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12'-Apo-.beta.,.psi.-carotene-3,12'-diol, 5,6-epoxy-5,6-dihydro-, (3S,5R,6S)-
SpectraBase Compound ID LPH8OwZt1gT
InChI InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24?,25?/m0/s1
InChIKey JQVNCYNADFKYNN-NADGCRDPSA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgQWXKlt2
Name 12'-Apo-.beta.,.psi.-carotene-3,12'-diol, 5,6-epoxy-5,6-dihydro-, (3S,5R,6S)-
Alternate Name(s) 7-Oxabicyclo[4.1.0]heptane, 12'-apo-.beta.,.psi.-carotene-3,12'-diol deriv. (1'S,2'R,4'S,all E)-13-(1',2'-epoxy-4'-hydroxy-2',6',6'-trimethylcyclohexyl)-2,7,11-trimethyltrideca 2,4,6,8,10,12-hexaenol (3S)-6-[(1E,3E,5E,7E,9E,11E)-13-hydroxy-3,7,12-trimethyl-1,3,5,7,9,11-tridecahexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol Persicaxanthin
CAS Registry Number 80952-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O3
InChI InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24?,25?/m0/s1
InChIKey JQVNCYNADFKYNN-NADGCRDPSA-N
Molecular Weight 384.560 g/mol
SMILES O[C@@]1(CC2(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(CO)C)C)C)(C(C1)(C)C)O2)C)[H]
SPLASH splash10-0ugi-0049000000-34a8f3501c5332617621
Source of Spectrum H-71-1993-9
Wiley ID 1361859