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Methyl 5,6-dihydroxypolyangioate and methyl 5-epi-5,6-dihydroxypolangioate
SpectraBase Compound ID 5yKb1zAine
InChI InChI=1S/C29H44O6/c1-7-25-18(3)9-12-26(35-25)19(4)14-17(2)8-10-22-20(5)23(22)11-13-27-29(32)24(30)15-21(34-27)16-28(31)33-6/h8-11,13-14,17,20-27,29-30,32H,7,12,15-16H2,1-6H3/b10-8+,13-11+,19-14+
InChIKey PELIGLOADSCSLO-INISRWLASA-N
Mol Weight 488.7 g/mol
Molecular Formula C29H44O6
Exact Mass 488.313789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fe4IRr4e4w
Name Methyl 5,6-dihydroxypolyangioate and methyl 5-epi-5,6-dihydroxypolangioate
CAS Registry Number 66966-10-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H44O6
InChI InChI=1S/C29H44O6/c1-7-25-18(3)9-12-26(35-25)19(4)14-17(2)8-10-22-20(5)23(22)11-13-27-29(32)24(30)15-21(34-27)16-28(31)33-6/h8-11,13-14,17,20-27,29-30,32H,7,12,15-16H2,1-6H3/b10-8+,13-11+,19-14+
InChIKey PELIGLOADSCSLO-INISRWLASA-N
Molecular Weight 488.665 g/mol
SMILES OC1C(CC(OC1\C=C\C1C(\C=C\C(\C=C\(C2OC(CC)C(=CC2)C)C)C)C1C)CC(=O)OC)O
SPLASH splash10-0007-0901600000-892aac1f405429da25a7
Source of Spectrum J-43-4607-0
Synonyms Methyl (8E)-3,7-anhydro-2,4,8,9-tetradeoxy-9-{2-[(1E,4E)-5-(6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl)-3-methyl-1,4-hexadienyl]-3-methylcyclopropyl}non-8-enonate
Wiley ID 1396932