Thevetin A

cas: 37933-66-7 — see every product listed under this CAS number, including other names

Thevetin A (CAS 37933-66-7) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 2mg, 5mg. Offered by: TargetMol, Biosynth.

brandTargetMol
catalog numberT124930-1mg
cas37933-66-7
size1mg
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Available pack sizes

brand size price
TargetMol 1mg 12817.75 Pln
Biosynth 2mg price on request
Biosynth 1mg price on request
Biosynth 5mg price on request

properties

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Structural formula: {0} (CAS {1})

(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde (CAS 37933-66-7) is a chemical compound with the molecular formula C42H64O19 and a molecular weight of 872.9 g/mol. IUPAC name: (3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde. InChIKey: WPNLWBRKPZXVGD-QMFRUYISSA-N.

Identity
Molecular formulaC42H64O19
Molecular weight872.9 g/mol
IUPAC name(3S,5R,8R,9S,10R,13R,14S,17R)-14-hydroxy-3-[(2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
InChIKeyWPNLWBRKPZXVGD-QMFRUYISSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C=O)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Thevetin A, Cannogenin 3-O-gentiobiosylthevetoside, THEVETIN A [MI], Cannogenin + L-thevetose + 2-glucose, Cannogenin + L-thevetose + 2-glucose [German], Thevetin A DISCONTINUED, Cannogenin 3-O-gentiobiosylthevetoside; Thevetin A
Isomers (same molecular formula)
(3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde C42H64O19

Also listed as

Thevetin A, 98.95% MedChemExpress CAS 37933-66-7
(3β,5β)-3-[(O-β-D-Glucopyranosyl-(1→6)-O-β-D-glucopyranosyl-(1→4)-6-deoxy-3-O-methyl-α-L-glucopyranosyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide, ≥98% Chemat CAS 37933-66-7
Thevetin A, >=95% (LC/MS-ELSD) Sigma-Aldrich CAS 37933-66-7