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3-Cyclohexen-1-ol, 4,4'-(1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]-
SpectraBase Compound ID 1QfuYJAsJEn
InChI InChI=1S/C36H48O2/c1-29-25-31(37)27-35(3,4)33(29)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-34-30(2)26-32(38)28-36(34,5)6/h7-24,31-32,37-38H,25-28H2,1-6H3/b8-7-,11-9-,12-10-,15-13-,16-14-,19-17-,20-18-,23-21-,24-22-/t31-,32-/m1/s1
InChIKey FJXQVIHOEAGEFX-ZIEIGXACSA-N
Mol Weight 512.8 g/mol
Molecular Formula C36H48O2
Exact Mass 512.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO2kVLEMUo
Name 3-Cyclohexen-1-ol, 4,4'-(1,3,5,7,9,11,13,15,17-octadecanonaene-1,18-diyl)bis[3,5,5-trimethyl-, [R-[R*,R*-(all-E)]]-
CAS Registry Number 83021-00-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H48O2
InChI InChI=1S/C36H48O2/c1-29-25-31(37)27-35(3,4)33(29)23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-34-30(2)26-32(38)28-36(34,5)6/h7-24,31-32,37-38H,25-28H2,1-6H3/b8-7-,11-9-,12-10-,15-13-,16-14-,19-17-,20-18-,23-21-,24-22-/t31-,32-/m1/s1
InChIKey FJXQVIHOEAGEFX-ZIEIGXACSA-N
Molecular Weight 512.778 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=2C(C[C@@](CC2C)(O)[H])(C)C)C(C1)(C)C)C)[H]
SPLASH splash10-0bt9-9000060000-f76130d99797f11f2fab
Source of Spectrum H-65-910-0
Synonyms (1R)-4-{(1Z,3Z,5Z,7Z,9Z,11Z,13Z,15Z,17Z)-18-[(4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohexen-1-yl]-1,3,5,7,9,11,13,15,17-octadecanonaenyl}-3,5,5-trimethyl-3-cyclohexen-1-ol (3R,3'R)-3,3'-dihydroxy-19,19',20,20'-tetranor-zeaxanthine
Wiley ID 1400928