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5,6-Dihydro-.beta.,.kappa.-carotene-3,5,6,3',6'-pentol
SpectraBase Compound ID JDHIweRX1pN
InChI InChI=1S/C40H60O5/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/h11-24,33-35,41-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+
InChIKey IEJQAKJIEFIKHH-IMJKPWSQSA-N
Mol Weight 620.9 g/mol
Molecular Formula C40H60O5
Exact Mass 620.444075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cy91L1SlP0D
Name 5,6-Dihydro-.beta.,.kappa.-carotene-3,5,6,3',6'-pentol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H60O5
InChI InChI=1S/C40H60O5/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/h11-24,33-35,41-45H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+
InChIKey IEJQAKJIEFIKHH-IMJKPWSQSA-N
Molecular Weight 620.915 g/mol
SMILES OC1CC(C(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C=C\C(C2(C(CC(C2)O)(C)C)C)O)C)C)C)C)(C(C1)(C)C)O)(O)C
SPLASH splash10-05o4-6910000000-1b03ad91d274b6b33bb6
Source of Spectrum H-81-1240-0
Synonyms 5,6-Dihydro-beta,kappa-carotene-3,3',5,6,6'-pentol
Wiley ID 1411574