(4aS,6aS,6bR,9R,10R,12aR,14bR)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl) oxy) -1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-ectadecahydrobenzene-4a(2H)-carboxylic acid, 99.87% ,, 99.87% ,

cas: 96553-02-5 — see every product listed under this CAS number, including other names

(4aS,6aS,6bR,9R,10R,12aR,14bR)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-(((2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(methoxycarbonyl)tetrahydro-2H-pyran-2-yl) oxy) -1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-ectadecahydrobenzene-4a(2H)-carboxylic acid, 99.87% ,, 99.87% , (CAS 96553-02-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 20mg, 200mg. Offered by: Chemat.

brandChemat
catalog numberCh12DDG4-1mg
cas96553-02-5
size1mg
availability 0.2g
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Chemat 1mg 304.40 Pln
Chemat 20mg 587.60 Pln
Chemat 200mg 5200.40 Pln

properties

purity99.87% ,
delivery time3 weeks
Structural formula: {0} (CAS {1})

(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid (CAS 96553-02-5) is a chemical compound with the molecular formula C37H56O10 and a molecular weight of 660.8 g/mol. IUPAC name: (4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid. InChIKey: LHZZULHOQSQSJN-UPGAAKEKSA-N.

Identity
Molecular formulaC37H56O10
Molecular weight660.8 g/mol
IUPAC name(4aS,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-9-formyl-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxycarbonyloxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
InChIKeyLHZZULHOQSQSJN-UPGAAKEKSA-N
SMILESC[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)OC)O)O)O

Computed by PubChem (NCBI)

Synonyms: gypsogenin-3-O-glucuronide, Methyl gypsogenin 3-O-beta-D-glucuronopyranoside, Methyl gypsogenin-3-O-glucuronide, orb1302327, orb3140653, Gypsogenin-3-O-(6-O-methyl-glucoside
Isomers (same molecular formula)
[(1R,1'R,3'R,4S,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate C37H56O10
[(1R,1'R,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl] acetate C37H56O10
2-[(1S,2R,3R,7R,9S,12R,14R,17R,18R,19R,21R,22S)-2-hydroxy-3,8,8,17,19-pentamethyl-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracos-4-en-22-yl]propan-2-yl acetate C37H56O10

Also listed as

Gypsogenin–3–O–glucuronide GLPBio CAS 96553-02-5
Gypsogenin-3-O-glucuronide, >95% (HPLC) TRC CAS 96553-02-5
Methyl gypsogenin-3-O-glucuronide, 99% AmBeed CAS 96553-02-5
Gypsogenin-3-O-glucuronide/ 99.33% (existing batch purity) TargetMol CAS 96553-02-5
Methyl gypsogenin-3-O-glucuronide, 99.89% MedChemExpress CAS 96553-02-5