Cucumarioside A6-2

Catalog No. :
ACXHBL311
CAS No. :
178209-18-2
Molecular Formula :
C59H90Na2O32S2
Molecular Weight :
1421.45

IUPAC Name:sodium (3S,4R,5R,6S)-5-(((2S,3R,4S,5S,6R)-5-(((2S,3R,4S,5R,6R)-4-(((2R,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-((sulfonatooxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((3R,3aS,5aS,7aS,9S,11aR,11bR,13aS)-3,5a,8,8,11a-pentamethyl-3-(4-methylpent-4-en-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-1H,3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl)oxy)tetrahydro-2H-pyran-3-yl sulfate

Cucumarioside A6-2 structure diagram
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Product Information

Product NameCucumarioside A6-2
IUPAC Namesodium (3S,4R,5R,6S)-5-(((2S,3R,4S,5S,6R)-5-(((2S,3R,4S,5R,6R)-4-(((2R,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-((sulfonatooxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-(((3R,3aS,5aS,7aS,9S,11aR,11bR,13aS)-3,5a,8,8,11a-pentamethyl-3-(4-methylpent-4-en-1-yl)-1,4-dioxo-3a,4,5,5a,7,7a,8,9,10,11,11a,11b,12,13-tetradecahydro-1H,3H-naphtho[2',1':4,5]indeno[1,7a-c]furan-9-yl)oxy)tetrahydro-2H-pyran-3-yl sulfate
Molecular FormulaC59H90Na2O32S2
Molecular Weight1421.45
SMILESC=C(C)CCC[C@@]1(C)OC(=O)[C@]23CC[C@H]4C(=CC[C@@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@H](OS(=O)(=O)[O-])[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@H]8O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](OC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@]2(C)CC(=O)[C@H]13.[Na+].[Na+]
InChI KeyHIZHYZBTVOZQAI-ZGVDCSHQSA-L
SynonymLanosta-7,25-dien-18-oic acid, 20-hydroxy-3-[(O-3-O-methyl-6-O-sulfo-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→4)-O-[β-D-xylopyranosyl-(1→2)]-O-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranosyl)oxy]-16-oxo-, γ-lactone, disodium salt, (3β)- (9CI)
CAS No.178209-18-2

Synthetic Route by SureRoute

1. ACXHBL311 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  2. Plus
  3. reactant_2 route compound structure diagram
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  4. Then
  5. ACXHBL311 route product structure diagram
    ACXHBL311178209-18-2
Inquiry

2. ACXHBL311 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACXHBL311 route product structure diagram
    ACXHBL311178209-18-2
Inquiry

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