Products 1068661-35-7

CAS 1068661-35-7 appears in our catalog under these names: 6，6'–Di–O–sinapoylsucrose, 6,6'-Di-O-sinapoylsucrose. Offered by: GLPBio, MedChemExpress. Available pack sizes: 5mg, Get quote.

6，6'–Di–O–sinapoylsucrose
GLPBio
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  • Variants: 1
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6,6'-Di-O-sinapoylsucrose
MedChemExpress
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Structural formula: {0} (CAS {1})

[(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate (CAS 1068661-35-7) is a chemical compound with the molecular formula C34H42O19 and a molecular weight of 754.7 g/mol. IUPAC name: [(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate. InChIKey: SWQXZNQYKZIRJS-MGQMONGZSA-N.

Identity
Molecular formulaC34H42O19
Molecular weight754.7 g/mol
IUPAC name[(2R,3S,4S,5R,6S)-6-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChIKeySWQXZNQYKZIRJS-MGQMONGZSA-N
SMILESCOC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O)O)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: 6,6'-Di-O-sinapoylsucrose, 6,6-Di-O-sinapoylsucrose, orb1680896
Isomers (same molecular formula)
3-[(2S,3R,4S,5R,6R)-6-[[(2R,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one C34H42O19
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate C34H42O19