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3-Hydroxy-3'-methoxy-7,7',8,8'-tetrahydro-.beta.,.beta.-carotene

View entire compound with spectra: 2 MS (GC)

3-Hydroxy-3'-methoxy-7,7',8,8'-tetrahydro-.beta.,.beta.-carotene
SpectraBase Compound ID 84aIQnmhHIA
InChI InChI=1S/C41H58O4/c1-28(18-14-20-30(3)38(43)24-36-32(5)22-34(42)26-40(36,7)8)16-12-13-17-29(2)19-15-21-31(4)39(44)25-37-33(6)23-35(45-11)27-41(37,9)10/h12-21,34-35,42H,22-27H2,1-11H3/b13-12+,18-14+,19-15+,28-16+,29-17+,30-20+,31-21+/t34-,35-/m1/s1
InChIKey BKYVFGZMFMGNPZ-ALMGHUGYSA-N
Mol Weight 614.9 g/mol
Molecular Formula C41H58O4
Exact Mass 614.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBYckNis0Rx
Name 3-Hydroxy-3'-methoxy-7,7',8,8'-tetrahydro-.beta.,.beta.-carotene
Alternate Name(s) 3-Hydroxy-3'-methoxy-7,7',8,8'-tetrahydro-.beta.,.beta.-carotene-8,8'-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H58O4
InChI InChI=1S/C41H58O4/c1-28(18-14-20-30(3)38(43)24-36-32(5)22-34(42)26-40(36,7)8)16-12-13-17-29(2)19-15-21-31(4)39(44)25-37-33(6)23-35(45-11)27-41(37,9)10/h12-21,34-35,42H,22-27H2,1-11H3/b13-12+,18-14+,19-15+,28-16+,29-17+,30-20+,31-21+/t34-,35-/m1/s1
InChIKey BKYVFGZMFMGNPZ-ALMGHUGYSA-N
Molecular Weight 614.911 g/mol
SMILES O[C@]1(CC(C(=C(C1)C)CC(\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(C(CC1=C(C[C@](CC1(C)C)(OC)[H])C)=O)C)C)C)C)=O)(C)C)[H]
SPLASH splash10-03fr-0792004000-58b1a1f1651764ffb913
Source of Spectrum SB-46-620-3
Wiley ID 810381