3-O-Caffeoyl-betulin, 96.00%

cas: 89130-86-9 — see every product listed under this CAS number, including other names

3-O-Caffeoyl-betulin, 96.00% (CAS 89130-86-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg. Offered by: Chemat.

brandChemat
catalog numberCM81130L-1mg
cas89130-86-9
size1mg
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Available pack sizes

brand size price
Chemat 1mg 763.98 Pln
Chemat 5mg 2425.25 Pln

properties

delivery time1-2 weeks
purity96.00%
categoryChemicals
Structural formula: {0} (CAS {1})

[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 89130-86-9) is a chemical compound with the molecular formula C39H56O5 and a molecular weight of 604.9 g/mol. IUPAC name: [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate. InChIKey: VOQSZICWRNPAMF-IUGYEWCASA-N.

Identity
Molecular formulaC39H56O5
Molecular weight604.9 g/mol
IUPAC name[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
InChIKeyVOQSZICWRNPAMF-IUGYEWCASA-N
SMILESCC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)/C=C/C6=CC(=C(C=C6)O)O)C)CO

Computed by PubChem (NCBI)

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