Products 104109-45-7

CAS 104109-45-7 is the registry number for (2R,3R,4S,5S,6R)-2-(((R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 98%. Offered by: Chemat Brand. Available pack sizes: on request.

(2R,3R,4S,5S,6R)-2-(((R)-1,7-bis(4-hydroxyphenyl)heptan-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol, 98%
Chemat Brand
  • size: on request
  • Variants: 1
View product

(2r,3r,4s,5s,6r)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol is a diarylheptanoid.

Source: ChEBI

Identity
Molecular formulaC25H34O8
Molecular weight462.5 g/mol
IUPAC name(2R,3R,4S,5S,6R)-2-[1,7-bis(4-hydroxyphenyl)heptan-3-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyMAUAGULXOHJIER-SRJJTFDTSA-N
SMILESC1=CC(=CC=C1CCCCC(CCC2=CC=C(C=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: aceroside VII, MEGxp0_000307, orb1990477, ACon1_000481
Isomers (same molecular formula)
4-[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C25H34O8
4-[[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]-4-oxobutanoic acid C25H34O8
4-[2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C25H34O8
4-[2-[(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid C25H34O8
(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C25H34O8
(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C25H34O8