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.kappa.,.chi.-Caroten-6-one, 8-hydroxy-, (5R)-

View entire compound with spectra: 1 MS (GC)

.kappa.,.chi.-Caroten-6-one, 8-hydroxy-, (5R)-
SpectraBase Compound ID 3aj8ioupw1D
InChI InChI=1S/C40H52O2/c1-29(18-13-19-31(3)22-24-36-25-23-32(4)34(6)35(36)7)16-11-12-17-30(2)20-14-21-33(5)37(41)28-38(42)40(10)27-15-26-39(40,8)9/h11-14,16-25,28,41H,15,26-27H2,1-10H3/b12-11+,18-13+,20-14+,24-22+,29-16+,30-17+,31-19+,33-21+,37-28-/t40-/m0/s1
InChIKey ZHOHENIQZPTRIZ-WCOKXOMASA-N
Mol Weight 564.9 g/mol
Molecular Formula C40H52O2
Exact Mass 564.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQjaXBTyTzw
Name .kappa.,.chi.-Caroten-6-one, 8-hydroxy-, (5R)-
Alternate Name(s) (5R)-8-hydroxy-.kappa.,.chi.-caroten-6-one (5R)-8-hydroxy-kappa,chi-caroten-6-one
CAS Registry Number 122673-54-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H52O2
InChI InChI=1S/C40H52O2/c1-29(18-13-19-31(3)22-24-36-25-23-32(4)34(6)35(36)7)16-11-12-17-30(2)20-14-21-33(5)37(41)28-38(42)40(10)27-15-26-39(40,8)9/h11-14,16-25,28,41H,15,26-27H2,1-10H3/b12-11+,18-13+,20-14+,24-22+,29-16+,30-17+,31-19+,33-21+,37-28-/t40-/m0/s1
InChIKey ZHOHENIQZPTRIZ-WCOKXOMASA-N
Molecular Weight 564.854 g/mol
SMILES O\C(=C/C([C@]1(C(CCC1)(C)C)C)=O)\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\c1c(c(C)c(cc1)C)C)C)C)C)C
SPLASH splash10-0btc-4900110000-51d9c4b1c2ebd3a74ee8
Source of Spectrum KC-1988-1381-66
Wiley ID 1407209