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.beta.,.beta.-Carotene, 2,2'-bis(4-hydroxy-3-methyl-2-butenyl)-, [2R(E),2'R(E)]-

View entire compound with spectra: 1 MS (GC)

.beta.,.beta.-Carotene, 2,2'-bis(4-hydroxy-3-methyl-2-butenyl)-, [2R(E),2'R(E)]-
SpectraBase Compound ID 9V3eNgLVoii
InChI InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-46,51-52H,27-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-/m0/s1
InChIKey SVZOVYPHOOQVFZ-HXRVJUFCSA-N
Mol Weight 705.1 g/mol
Molecular Formula C50H72O2
Exact Mass 704.553232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZrhE6hBv1L
Name .beta.,.beta.-Carotene, 2,2'-bis(4-hydroxy-3-methyl-2-butenyl)-, [2R(E),2'R(E)]-
CAS Registry Number 54783-71-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H72O2
InChI InChI=1S/C50H72O2/c1-37(19-15-21-39(3)25-33-47-43(7)27-31-45(49(47,9)10)29-23-41(5)35-51)17-13-14-18-38(2)20-16-22-40(4)26-34-48-44(8)28-32-46(50(48,11)12)30-24-42(6)36-52/h13-26,33-34,45-46,51-52H,27-32,35-36H2,1-12H3/b14-13+,19-15+,20-16+,33-25+,34-26+,37-17+,38-18+,39-21+,40-22+,41-23+,42-24+/t45-,46-/m0/s1
InChIKey SVZOVYPHOOQVFZ-HXRVJUFCSA-N
Molecular Weight 705.124 g/mol
SMILES OC\C(=C\C[C@@]1(C(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C=2C([C@@](C\C=C\(CO)C)(CCC2C)[H])(C)C)C)C)C)C)=C(CC1)C)(C)C)[H])C
SPLASH splash10-00ke-9700000100-27a3ac7de16b22efdd46
Source of Spectrum H-69-657-3
Synonyms (2E)-4-{(2R,2'R)-2-[(2E)-4-hydroxy-3-methyl-2-butenyl]-beta,.beta.-caroten-2'-yl}-2-methyl-2-buten-1-ol (all-E,2R,2'R)-2,2'-bis(4-hydroxy-3-methyl-2-butenyl)-.beta.,.beta.-carotin C.P. 450 (E)-4-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethyl-1-cyclohexenyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,4-trimethyl-1-cyclohex-3-enyl]-2-methyl-2-buten-1-ol (E)-4-[(1R)-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(5R)-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-2,2,4-trimethylcyclohex-3-en-1-yl]-2-methylbut-2-en-1-ol (E)-2-methyl-4-[(1R)-2,2,4-trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(5R)-2,6,6-trimethyl-5-[(E)-3-methyl-4-oxidanyl-but-2-enyl]cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]but-2-en-1-ol
Wiley ID 1415174