(2S,3S,4aR,6R,8R,8aS)-8-(((2E)-3-(4-(Acetyloxy)-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)octahydro-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-carboxylic Acid Methyl Ester

cas: 1448331-80-3 — see every product listed under this CAS number, including other names

(2S,3S,4aR,6R,8R,8aS)-8-(((2E)-3-(4-(Acetyloxy)-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)octahydro-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-1,4-benzodioxin-6-carboxylic Acid Methyl Ester (CAS 1448331-80-3) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg. Offered by: TRC.

brandTRC
catalog numberTRC-A591348-10MG
cas1448331-80-3
size10mg
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Structural formula: {0} (CAS {1})

Methyl (2S,3S,4aR,6R,8R,8aS)-8-[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-benzo[b][1,4]dioxine-6-carboxylate (CAS 1448331-80-3) is a chemical compound with the molecular formula C26H34O12 and a molecular weight of 538.5 g/mol. IUPAC name: methyl (2S,3S,4aR,6R,8R,8aS)-8-[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-benzo[b][1,4]dioxine-6-carboxylate. InChIKey: METSYCYDBKXRES-KFCGLQQGSA-N.

Identity
Molecular formulaC26H34O12
Molecular weight538.5 g/mol
IUPAC namemethyl (2S,3S,4aR,6R,8R,8aS)-8-[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enoyl]oxy-6-hydroxy-2,3-dimethoxy-2,3-dimethyl-5,7,8,8a-tetrahydro-4aH-benzo[b][1,4]dioxine-6-carboxylate
InChIKeyMETSYCYDBKXRES-KFCGLQQGSA-N
SMILESCC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)O[C@@H]2C[C@](C[C@@H]3[C@@H]2O[C@]([C@@](O3)(C)OC)(C)OC)(C(=O)OC)O)OC

Computed by PubChem (NCBI)

Isomers (same molecular formula)
[3,6,9-trimethylidene-2-oxo-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-hydroxy-2-methyl-3-oxobutanoate C26H34O12
(2S,3R,4S,5S,6R)-2-[4-[[(3S,4R,5S)-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H34O12
(2S,3R,4S,5S,6R)-2-[4-[(3R,4S)-4-hydroxy-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)oxolan-2-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H34O12
(2R,3R,4S,5S,6R)-2-[(4-hydroxy-3-methoxyphenyl)-[(3S,4R,5S)-5-(4-hydroxy-3-methoxyphenyl)-4-(hydroxymethyl)oxolan-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H34O12
(2R,3R,4S,5S,6R)-2-[[(1S,2S,3S)-3,7-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-2,4-dihydro-1H-naphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H34O12
(2S,3R,4S,5S,6R)-2-[4-[(1R,2S)-1,3-dihydroxy-2-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]propyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol C26H34O12