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Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-6-[[3-[4-(.beta.-D-glucopyranosyloxy)- 3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, [1S-[1.alpha.,4a.alpha.,6.alpha.(E),7.alpha.,7a.alpha.]]-

View entire compound with spectra: 1 MS (GC)

Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-6-[[3-[4-(.beta.-D-glucopyranosyloxy)- 3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, [1S-[1.alpha.,4a.alpha.,6.alpha.(E),7.alpha.,7a.alpha.]]-
SpectraBase Compound ID 990Jt8CxLGl
InChI InChI=1S/C33H44O18/c1-13-18(9-15-16(30(43)45-3)12-46-31(23(13)15)51-33-29(42)27(40)25(38)21(11-35)50-33)47-22(36)7-5-14-4-6-17(19(8-14)44-2)48-32-28(41)26(39)24(37)20(10-34)49-32/h4-8,12-13,15,18,20-21,23-29,31-35,37-42H,9-11H2,1-3H3/b7-5+/t13-,15+,18-,20-,21-,23+,24-,25-,26+,27+,28-,29-,31-,32-,33+/m1/s1
InChIKey UVYVMKUISUPQME-QCUCSOALSA-N
Mol Weight 728.7 g/mol
Molecular Formula C33H44O18
Exact Mass 728.252765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2i0WtlfWNc
Name Cyclopenta[c]pyran-4-carboxylic acid, 1-(.beta.-D-glucopyranosyloxy)-6-[[3-[4-(.beta.-D-glucopyranosyloxy)- 3-methoxyphenyl]-1-oxo-2-propenyl]oxy]-1,4a,5,6,7,7a-hexahydro-7-methyl-, methyl ester, [1S-[1.alpha.,4a.alpha.,6.alpha.(E),7.alpha.,7a.alpha.]]-
CAS Registry Number 89332-48-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H44O18
InChI InChI=1S/C33H44O18/c1-13-18(9-15-16(30(43)45-3)12-46-31(23(13)15)51-33-29(42)27(40)25(38)21(11-35)50-33)47-22(36)7-5-14-4-6-17(19(8-14)44-2)48-32-28(41)26(39)24(37)20(10-34)49-32/h4-8,12-13,15,18,20-21,23-29,31-35,37-42H,9-11H2,1-3H3/b7-5+/t13-,15+,18-,20-,21-,23+,24-,25-,26+,27+,28-,29-,31-,32-,33+/m1/s1
InChIKey UVYVMKUISUPQME-QCUCSOALSA-N
Molecular Weight 728.697 g/mol
SMILES O[C@@]1([C@]([C@](Oc2c(cc(\C=C\C(O[C@]3([C@]([C@]4([C@](C(=CO[C@@]4(O[C@]4([C@@]([C@]([C@@]([C@](O4)(CO)[H])(O)[H])(O)[H])(O)[H])[H])[H])C(=O)OC)(C3)[H])[H])(C)[H])[H])=O)cc2)OC)(O[C@@]([C@]1(O)[H])(CO)[H])[H])(O)[H])[H]
SPLASH splash10-070f-8900000000-ca09c63076f55bf05370
Source of Spectrum H-67-165-0
Synonyms 7-O-[(E)-.beta.-(4''-(.beta.-D-glucopyranosyloxy)-3''-methoxyphenyl)propenyl]-loganin 7-O-[(E)-.beta.-(4''-(.beta.-D-Glucopyranosyloxy)-3''-methoxyphenyl)propenyl]-loganin Methyl (1R,4aR,6R,7S,7aR)-1-(.beta.-D-glucopyranosyloxy)-6-({(2E)-3-[4-(.beta.-D-glucopyranosyloxy)-3-methoxyphenyl]-2-propenoyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Periclymenoside
Wiley ID 1415843