25,26-Dehydro beta-Sitosterol beta-D-Glucoside

cas: 4281-99-6 — see every product listed under this CAS number, including other names

25,26-Dehydro beta-Sitosterol beta-D-Glucoside (CAS 4281-99-6) is a chemical reagent available from Chemat. Available pack sizes: 200mg. Offered by: TRC.

brandTRC
catalog numberTRC-D230490-200MG
cas4281-99-6
size200mg
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Structural formula: {0} (CAS {1})

(2R,5S)-2-[[(3S,8S,9R,10R,13R,14R,17R)-17-[(2S,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 4281-99-6) is a chemical compound with the molecular formula C35H58O6 and a molecular weight of 574.8 g/mol. IUPAC name: (2R,5S)-2-[[(3S,8S,9R,10R,13R,14R,17R)-17-[(2S,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: FKZKAGYCKXYXKP-QYHUZGQJSA-N.

Identity
Molecular formulaC35H58O6
Molecular weight574.8 g/mol
IUPAC name(2R,5S)-2-[[(3S,8S,9R,10R,13R,14R,17R)-17-[(2S,5R)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyFKZKAGYCKXYXKP-QYHUZGQJSA-N
SMILESCC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5C(C([C@@H](C(O5)CO)O)O)O)C)C)C(=C)C

Computed by PubChem (NCBI)

Synonyms: 25,26-Dehydro beta-Sitosterol beta-D-Glucoside
Related forms of this compound
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylhept-6-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
Isomers (same molecular formula)
(2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
(2S,3R,4S,5S)-2-[[(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl]oxy]oxane-3,4,5-triol C35H58O6
(2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6
(2R,3R,4S,5S,6R)-2-[[(3S,8R,9R,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol C35H58O6