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Floribundal

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

Floribundal
SpectraBase Compound ID 9MxWKP8KX42
InChI InChI=1S/C22H28O10/c1-10-17(5-13-16(20(25)29-4)9-31-22(27)19(10)13)32-21(26)15-8-30-11(2)14(7-23)12(15)6-18(24)28-3/h7-14,17,19,22,27H,5-6H2,1-4H3/t10-,11-,12-,13+,14+,17-,19+,22+/m0/s1
InChIKey OGVKQJQFXCWBTO-ZNIMCIPQSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H28O10
Exact Mass 452.168247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GmfslN5odyU
Name Floribundal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O10
InChI InChI=1S/C22H28O10/c1-10-17(5-13-16(20(25)29-4)9-31-22(27)19(10)13)32-21(26)15-8-30-11(2)14(7-23)12(15)6-18(24)28-3/h7-14,17,19,22,27H,5-6H2,1-4H3/t10-,11-,12-,13+,14+,17-,19+,22+/m0/s1
InChIKey OGVKQJQFXCWBTO-ZNIMCIPQSA-N
Molecular Weight 452.456 g/mol
SMILES O[C@@]1(OC=C([C@]2(C[C@](OC(C=3[C@]([C@](C=O)([C@@](OC3)(C)[H])[H])(CC(=O)OC)[H])=O)([C@@]([C@@]12[H])(C)[H])[H])[H])C(=O)OC)[H]
SPLASH splash10-0059-2950000000-cb40d3301ac8629d3d57
Source of Spectrum G4-60-1306-1
Synonyms (1R,4aS,6S,7R,7aS)-6-[(2S,3S,4S)-3-formyl-4-(2-keto-2-methoxy-ethyl)-2-methyl-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester (1R,4aS,6S,7R,7aS)-6-[[(2S,3S,4S)-3-formyl-4-(2-methoxy-2-oxoethyl)-2-methyl-3,4-dihydro-2H-pyran-5-yl]-oxomethoxy]-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester Methyl (1R,4aS,6S,7R,7aS)-6-[(2S,3S,4S)-3-formyl-4-(2-methoxy-2-oxo-ethyl)-2-methyl-3,4-dihydro-2H-pyran-5-carbonyl]oxy-1-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate Methyl (1R,4aS,6S,7R,7aS)-6-[[(2S,3S,4S)-3-methanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)-2-methyl-3,4-dihydro-2H-pyran-5-yl]carbonyloxy]-7-methyl-1-oxidanyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Wiley ID 1607006