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.beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-

View entire compound with spectra: 2 MS (GC)

.beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-
SpectraBase Compound ID 2OHFmqYmxbV
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey KBPHJBAIARWVSC-DKLMTRRASA-N
Mol Weight 568.9 g/mol
Molecular Formula C40H56O2
Exact Mass 568.428031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BwRYHh2APF
Name .beta.,.epsilon.-Carotene-3,3'-diol, (3R,3'R,6'R)-
CAS Registry Number 127-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O2
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey KBPHJBAIARWVSC-DKLMTRRASA-N
Molecular Weight 568.886 g/mol
SMILES OC1CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=2C(CC(CC2C)O)(C)C)C)C)C)C)C(=C1)C)(C)C
SPLASH splash10-052f-5921000000-95d45ae19aaa3ad08789
Source of Spectrum EP-2338-0-0
Synonyms (3R,3'R,6'R)-Lutein .beta.,.epsilon.-Carotene-3,3'-diol 3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol 4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol all-trans-(+)-Xanthophyll all-trans-Lutein all-trans-Xanthophyll beta,epsilon-carotene-3,3'-diol beta,epsilon-carotene-3,3'-diol, (3R,3'R,6'R)- Bo-Xan Carotenoid Lutein Lutein ester Lutein, all-trans- Luteine trans-Lutein Vegetable lutein Vegetable luteol Xanthophyll Xanthophyll, all-trans-(+)- EINECS 204-840-0 NSC 59193
Wiley ID 1407583