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beta-Carotene

View entire compound with spectra: 31 NMR, 5 FTIR, and 12 MS (GC)

beta-Carotene
SpectraBase Compound ID 5sxo57j3aqV
InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey OENHQHLEOONYIE-JLTXGRSLSA-N
Mol Weight 536.9 g/mol
Molecular Formula C40H56
Exact Mass 536.438202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1Wf2ncB5vs
Name .beta.,.beta.-Carotene
CAS Registry Number 7235-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56
InChI InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKey OENHQHLEOONYIE-JLTXGRSLSA-N
Molecular Weight 536.888 g/mol
SMILES C\C(\C=C\C=1C(C)(C)CCCC1C)=C/C=C/C(=C/C=C/C=C/(\C=C\C=C\(\C=C\C=1C(C)(C)CCCC1C)C)C)C
SPLASH splash10-05oy-9820000000-337f91b0d4a64bc89b6f
Source of Spectrum EP-5277-0-0
Synonyms .beta., .beta.-carotene .beta. Carotene .beta.,.beta.-Carotene, neo B .beta.-Carotene .beta.-Carotene, all-trans- 1,1'-(3,7,12,16-Tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis(2,6,6-trimethylcyclohexene), (all E)- 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohexenyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene all-E-.beta.-Carotene all-trans-.beta.-Carotene beta carotene Betacaroteno Betacarotenum BetaVit C.I. Food Orange 5 Carotaben Carotene, .beta. Carotene, beta Food Orange 5 Karotin KPMK Lucaratin Natural yellow 26 Provatene Provitamin A Serlabo Solatene Solatene (caps) trans-.beta.-Carotene trans-b-carotene Zlut prirodni 26 C.I. 75130 CCRIS 3245 CI 40800 CI 75130 EINECS 230-636-6 HSDB 3264 NSC 62794
Wiley ID 1404160