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5,6-Dihydro-polyangioic acid
SpectraBase Compound ID 80kBItjOWmt
InChI InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+
InChIKey TYIXBSJXUFTELJ-DPSHAVHNSA-N
Mol Weight 474.6 g/mol
Molecular Formula C28H42O6
Exact Mass 474.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2BTFcz31LP
Name 2-[6-[(E)-2-[2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methyl-hexa-1,4-dienyl]-3-methyl-cyclopropyl]ethenyl]-4,5-bis(oxidanyl)oxan-2-yl]ethanoic acid
CAS Registry Number 66965-37-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O6
InChI InChI=1S/C28H42O6/c1-6-24-17(3)8-11-25(34-24)18(4)13-16(2)7-9-21-19(5)22(21)10-12-26-28(32)23(29)14-20(33-26)15-27(30)31/h7-10,12-13,16,19-26,28-29,32H,6,11,14-15H2,1-5H3,(H,30,31)/b9-7+,12-10+,18-13+
InChIKey TYIXBSJXUFTELJ-DPSHAVHNSA-N
Molecular Weight 474.638 g/mol
SMILES OC(CC1OC(C(C(C1)O)O)\C=C\C1C(\C=C\C(\C=C\(C2OC(CC)C(=CC2)C)C)C)C1C)=O
SPLASH splash10-002e-0951300000-e6ef72c173de5baa67e9
Source of Spectrum J-43-4607-0
Synonyms 2-[6-[(E)-2-[2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methyl-hexa-1,4-dienyl]-3-methyl-cyclopropyl]vinyl]-4,5-dihydroxy-tetrahydropyran-2-yl]acetic acid 2-[6-[(E)-2-[2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxy-2-oxanyl]acetic acid 2-[6-[(E)-2-[2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid
Wiley ID 1393945