Products 171438-55-4

CAS 171438-55-4 is the registry number for Dammarenediol II 3-o-caffeate. Offered by: Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 50mg, 25mg, Get quote.

Dammarenediol II 3-o-caffeate
Biosynth, MedChemExpress
  • size: 1mg, 5mg, 10mg, 50mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 171438-55-4) is a chemical compound with the molecular formula C39H58O5 and a molecular weight of 606.9 g/mol. IUPAC name: [(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: YVMAYTYEFBTXFR-MYGOKKNYSA-N.

Identity
Molecular formulaC39H58O5
Molecular weight606.9 g/mol
IUPAC name[(3S,5R,8R,9R,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyYVMAYTYEFBTXFR-MYGOKKNYSA-N
SMILESCC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1CC[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)OC(=O)/C=C/C5=CC(=C(C=C5)O)O)C)C)C)O)C

Computed by PubChem (NCBI)

Synonyms: Dammarenediol II 3-O-caffeate