Products 112137-81-2

CAS 112137-81-2 is the registry number for Ikshusterol 3-O-glucoside. Offered by: Biosynth, MedChemExpress. Available pack sizes: 5mg, 1mg, 10mg, Get quote.

Ikshusterol 3-O-glucoside
Biosynth, MedChemExpress
  • size: 5mg, 1mg, 10mg, Get quote
  • Variants: 4
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Structural formula: {0} (CAS {1})

(2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-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 112137-81-2) is a chemical compound with the molecular formula C35H60O7 and a molecular weight of 592.8 g/mol. IUPAC name: (2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-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: CPVAKQVYNLPUBL-MSLCHGNTSA-N.

Identity
Molecular formulaC35H60O7
Molecular weight592.8 g/mol
IUPAC name(2R,3R,4S,5S,6R)-2-[[(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-7-hydroxy-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
InChIKeyCPVAKQVYNLPUBL-MSLCHGNTSA-N
SMILESCC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)O)C)C(C)C

Computed by PubChem (NCBI)

Synonyms: Ikshusterol 3-O-glucoside, Ikshusterol 3-O-beta-D-glucopyraside, orb1682392, 7alpha-hydroxysitosterol 3-O-beta-D-glucoside, 7alpha-Hydroxystigmast-5-en-3beta-yl beta-D-glucopyranoside, (3|A,7|A)-7-Hydroxystigmast-5-en-3-yl |A-D-glucopyranoside, (3I(2),7I+/-)-7-Hydroxystigmast-5-en-3-yl I(2)-D-glucopyranoside
Isomers (same molecular formula)
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl]oxy]oxane-3,4,5-triol C35H60O7