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5,6-Dihydro-3,5,6,3'-tetrahydroxy-.beta.,.kappa.-carotene-6'-one
SpectraBase Compound ID 6tZWRukiMqc
InChI InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-34,41-42,44-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+
InChIKey LYYDEPKDTUIGFR-IMJKPWSQSA-N
Mol Weight 618.9 g/mol
Molecular Formula C40H58O5
Exact Mass 618.428425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azl9Eq1LBzc
Name 5,6-Dihydro-3,5,6,3'-tetrahydroxy-.beta.,.kappa.-carotene-6'-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H58O5
InChI InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40(45)37(7,8)26-34(42)28-39(40,10)44/h11-24,33-34,41-42,44-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+
InChIKey LYYDEPKDTUIGFR-IMJKPWSQSA-N
Molecular Weight 618.899 g/mol
SMILES OC1CC(C(C(C1)(C)C)(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C(C1(C(CC(C1)O)(C)C)C)=O)C)C)C)C)O)(O)C
SPLASH splash10-059x-6920101000-2ed5a5910039e97043d0
Source of Spectrum H-81-1240-15
Synonyms 3,3',5,6-tetrahydroxy-5,6-dihydro-beta,kappa-caroten-6'-one
Wiley ID 1411462