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Methyl 1-(hexopyranosyloxy)-4a-hydroxy-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
SpectraBase Compound ID DfkrazuIikr
InChI InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3
InChIKey PRZVXHGUJJPSME-UHFFFAOYSA-N
Mol Weight 404.37 g/mol
Molecular Formula C17H24O11
Exact Mass 404.131862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKkTuxkU01D
Name Methyl 1-(hexopyranosyloxy)-4a-hydroxy-7-methyl-5-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
CAS Registry Number 50816-24-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O11
InChI InChI=1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3
InChIKey PRZVXHGUJJPSME-UHFFFAOYSA-N
Molecular Weight 404.368 g/mol
SMILES OC12C(=COC(OC3C(C(C(C(CO)O3)O)O)O)C2C(CC1=O)C)C(OC)=O
SPLASH splash10-074i-3940000000-2b67c5a3a9fdec95cc5f
Source of Spectrum W5-1989-10018-1
Synonyms 4a-hydroxy-5-keto-7-methyl-1-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester 4a-hydroxy-7-methyl-5-oxo-1-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Hastatoside Methyl 1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-methyl-4a-oxidanyl-5-oxidanylidene-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Methyl 4a-hydroxy-7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate Methyl 4a-hydroxy-7-methyl-5-oxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1371068