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Loganin pentaacetate

View entire compound with spectra: 4 NMR, and 1 MS (GC)

Loganin pentaacetate
SpectraBase Compound ID GDMnrKivTY
InChI InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3
InChIKey AEJMLRVPTZEQEF-UHFFFAOYSA-N
Mol Weight 600.6 g/mol
Molecular Formula C27H36O15
Exact Mass 600.20542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Az18rRpyRpX
Name Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-1-[(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)]-
CAS Registry Number 20586-11-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O15
InChI InChI=1S/C27H36O15/c1-11-19(37-13(3)29)8-17-18(25(33)34-7)9-36-26(21(11)17)42-27-24(40-16(6)32)23(39-15(5)31)22(38-14(4)30)20(41-27)10-35-12(2)28/h9,11,17,19-24,26-27H,8,10H2,1-7H3
InChIKey AEJMLRVPTZEQEF-UHFFFAOYSA-N
Molecular Weight 600.570 g/mol
SMILES CC1C(CC2C1C(OC=C2C(=O)OC)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
SPLASH splash10-0159-0903000000-d0195b9adf9e6653054a
Source of Spectrum EP-6309-0-0
Synonyms Methyl 6-(acetyloxy)-7-methyl-1-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate 6-Acetoxy-7-methyl-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester 6-Acetyloxy-7-methyl-1-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)-2-oxanyl]oxy]-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-1-[(tetra-O-acetyl-.beta.-D-glucopyranosyl)oxy]-, methyl ester, [1S-(1.alpha.,4a.alpha.,6.alpha.,7.alpha.,7a.alpha.)]- Loganin, pentaacetate Methyl 6-acetoxy-7-methyl-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl 6-acetyloxy-7-methyl-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1410100