Produkty 193969-08-3

CAS 193969-08-3 występuje w naszej ofercie pod nazwami: 10–O–Vanilloylaucubin, 10-o-Vanilloylaucubin, 10-O-Vanilloylaucubin, ≥95%. Oferty producentów: GLPBio, Biosynth, MedChemExpress, Chemat. Dostępne opakowania: 10mg, 5mg, 25mg, 50mg, Get quote.

10–O–Vanilloylaucubin
GLPBio
  • opakowanie: 10mg
  • Warianty: 1
od 4158,90
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10-o-Vanilloylaucubin
Biosynth, MedChemExpress
  • opakowanie: 10mg, 5mg, 25mg, 50mg
  • Warianty: 5
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10-O-Vanilloylaucubin, ≥95%
Chemat
  • opakowanie: 5mg
  • Warianty: 1
od 5234,00
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Wzór strukturalny: {0} (CAS {1})

[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate (CAS 193969-08-3) to związek chemiczny o wzorze sumarycznym C23H28O12 i masie molowej 496.5 g/mol. Nazwa systematyczna IUPAC: [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate. InChIKey: VTYVNBXSLBXSGD-IFWLTBFJSA-N.

Dane identyfikacyjne
Wzór sumarycznyC23H28O12
Masa molowa496.5 g/mol
Nazwa IUPAC[(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxy-3-methoxybenzoate
InChIKeyVTYVNBXSLBXSGD-IFWLTBFJSA-N
SMILESCOC1=C(C=CC(=C1)C(=O)OCC2=C[C@H]([C@H]3[C@@H]2[C@@H](OC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Dane obliczone przez PubChem (NCBI)

Synonimy: 10-O-Vanilloylaucubin, 10-Vanilloylaucubinz, 10-o-Vanilloyl aucubin; Aucubin 10-O-vanillate; Pedunculariside, orb1683944
Izomery (ten sam wzór sumaryczny)
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid C23H28O12
[4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate C23H28O12
(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H28O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid C23H28O12
[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-methoxybenzoate C23H28O12
[(1R,2S,3R,5R,6R,8S)-6-hydroxy-8-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate C23H28O12
6-(3-hydroxybenzoyl)oxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid C23H28O12