Products 20972-08-1

CAS 20972-08-1 appears in our catalog under these names: Oryzanol Impurity 8 , Oryzanol Impurity 9, Stigmasteryl Ferulate, >95% (HPLC). Offered by: Chemat Brand, TRC. Available pack sizes: on request, 100mg, 10mg, 2,5mg.

Structural formula: {0} (CAS {1})

[(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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (CAS 20972-08-1) is a chemical compound with the molecular formula C39H56O4 and a molecular weight of 588.9 g/mol. IUPAC name: [(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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate. InChIKey: NMWHNQAIHFWROQ-ZJNYQSGUSA-N.

Identity
Molecular formulaC39H56O4
Molecular weight588.9 g/mol
IUPAC name[(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] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChIKeyNMWHNQAIHFWROQ-ZJNYQSGUSA-N
SMILESCC[C@H](/C=C/[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)OC(=O)/C=C/C5=CC(=C(C=C5)O)OC)C)C)C(C)C

Computed by PubChem (NCBI)