1,2-Disinapoylgentiobiose

cas: 195006-75-8 — see every product listed under this CAS number, including other names

1,2-Disinapoylgentiobiose (CAS 195006-75-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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catalog numberHY-N16731-Get quote
cas195006-75-8
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Structural formula: {0} (CAS {1})

1,2-Disinapoylgentiobiose is a glycoside. It is functionally related to a hydroxycinnamic acid.

Source: ChEBI

Identity
Molecular formulaC34H42O19
Molecular weight754.7 g/mol
IUPAC name[(3R,4S,5S,6R)-4,5-dihydroxy-2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
InChIKeyMBGNTECDWBKCKH-HXDPBKTRSA-N
SMILESCOC1=CC(=CC(=C1O)OC)/C=C/C(=O)O[C@@H]2[C@H]([C@@H]([C@H](OC2OC(=O)/C=C/C3=CC(=C(C(=C3)OC)O)OC)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

Computed by PubChem (NCBI)

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