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3-Cyclohexen-1-ol, 4,4'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]-
SpectraBase Compound ID 5o7oCJojKD
InChI InChI=1S/C50H68O2/c1-37(21-15-23-39(3)25-17-27-41(5)29-31-47-43(7)33-45(51)35-49(47,9)10)19-13-14-20-38(2)22-16-24-40(4)26-18-28-42(6)30-32-48-44(8)34-46(52)36-50(48,11)12/h13-32,45-46,51-52H,33-36H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,37-19-,38-20+,39-23+,40-24+,41-27+,42-28+/t45-,46-/m1/s1
InChIKey VOVHITNJMQGJRU-MERLVGJYSA-N
Mol Weight 701.1 g/mol
Molecular Formula C50H68O2
Exact Mass 700.521931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gq8FI5BzDky
Name 3-Cyclohexen-1-ol, 4,4'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]-
CAS Registry Number 101510-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H68O2
InChI InChI=1S/C50H68O2/c1-37(21-15-23-39(3)25-17-27-41(5)29-31-47-43(7)33-45(51)35-49(47,9)10)19-13-14-20-38(2)22-16-24-40(4)26-18-28-42(6)30-32-48-44(8)34-46(52)36-50(48,11)12/h13-32,45-46,51-52H,33-36H2,1-12H3/b14-13+,21-15+,22-16+,25-17+,26-18+,31-29+,32-30+,37-19-,38-20+,39-23+,40-24+,41-27+,42-28+/t45-,46-/m1/s1
InChIKey VOVHITNJMQGJRU-MERLVGJYSA-N
Molecular Weight 701.092 g/mol
SMILES O[C@@]1(CC(=C(\C=C\C(=C\C=C\C(=C\C=C\C(=C\C=C\C=C/(\C=C\C=C\(\C=C\C=C\(\C=C\C=2C(C[C@@](CC2C)(O)[H])(C)C)C)C)C)C)C)C)C(C1)(C)C)C)[H]
SPLASH splash10-0udi-0000011900-e1d62e8bcf0a0c727bb1
Source of Spectrum H-69-23-3
Synonyms (1R)-4-{(1E,3E,5E,7E,9E,11E,13E,15Z,17E,19E,21E,23E,25E)-26-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaenyl}-3,5,5-trimethyl-3-cyclohexen-1-ol (1R,1'R)-4,4'-(3,7,11,16,20,24-hexamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25-hexacosatridecaene-1,26-diyl)bis[3,5,5-trimethyl-3-cyclohexen-1-ol] (3R,3'R)-decaprenzeaxanthin Decaprenozeaxanthin
Wiley ID 1415065