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3,6 : 3',6' -Diepoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-5,5'-diol
SpectraBase Compound ID 9mxKO0qT5iL
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey RZEVGLVRLUDYEA-DKLMTRRASA-N
Mol Weight 600.9 g/mol
Molecular Formula C40H56O4
Exact Mass 600.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOWbiaOZLft
Name 3,6 : 3',6' -Diepoxy-5,6,5',6'-tetrahydro-.beta.,.beta.-carotene-5,5'-diol
Alternate Name(s) 1-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-(2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]hept-1-yl)-3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15,17-octadecanonaenyl]-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H56O4
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
InChIKey RZEVGLVRLUDYEA-DKLMTRRASA-N
Molecular Weight 600.884 g/mol
SMILES OC1(C2(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C34C(CC(CC4(C)C)O3)(O)C)C)C)C)C)OC(C1)CC2(C)C)C
SPLASH splash10-0udi-0330029000-56ab584844dadf39a06c
Source of Spectrum H-79-1442-8
Wiley ID 1410197