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Methyl 1-(Glucopyranosyloxy)-4a,7a-dihydro-4'-(1-hydroxyethyl)-5'oxo-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate

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Methyl 1-(Glucopyranosyloxy)-4a,7a-dihydro-4'-(1-hydroxyethyl)-5'oxo-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
SpectraBase Compound ID 54Vpg3XSzU7
InChI InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1
InChIKey AOPMSFXOYJXDNJ-IRFSQMTFSA-N
Mol Weight 470.43 g/mol
Molecular Formula C21H26O12
Exact Mass 470.142426 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnFH4h55qre
Name Methyl 1-(Glucopyranosyloxy)-4a,7a-dihydro-4'-(1-hydroxyethyl)-5'oxo-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Alternate Name(s) Plumieride Methyl (1S,4aS,7R,7aS)-4'-((S)-1-hydroxyethyl)-5'-oxo-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4a,7a-dihydro-1H,5'H-spiro[cyclopenta[c]pyran-7,2'-furan]-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O12
InChI InChI=1S/C21H26O12/c1-8(23)10-5-21(33-18(10)28)4-3-9-11(17(27)29-2)7-30-19(13(9)21)32-20-16(26)15(25)14(24)12(6-22)31-20/h3-5,7-9,12-16,19-20,22-26H,6H2,1-2H3/t8-,9+,12+,13+,14+,15-,16+,19-,20-,21+/m0/s1
InChIKey AOPMSFXOYJXDNJ-IRFSQMTFSA-N
Literature Reference DOI 10.1002/cbdv.200590058
Molecular Weight 470.427 g/mol
SMILES OC[C@]1(O[C@]([C@@]([C@]([C@@]1(O)[H])(O)[H])(O)[H])(O[C@]1([C@]2([C@@](C(=CO1)C(=O)OC)(C=C[C@]21OC(C([C@](C)(O)[H])=C1)=O)[H])[H])[H])[H])[H]
SPLASH splash10-0536-2690000000-3ad62f9566219da4fbbc
Source of Spectrum CBD-2-806-3
Wiley ID 1806323