Products 80454-47-3

CAS 80454-47-3 appears in our catalog under these names: Euphornin, Euphornin, 98.09%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 5mg, 25 mg, 10 mg, 1 mg, 5 mg.

Euphornin
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 625.12
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Euphornin, 98.09%
MedChemExpress
  • size: 25 mg, 10 mg, 1 mg, 5 mg
  • Variants: 4
from 505.45
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Structural formula: {0} (CAS {1})

[(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate (CAS 80454-47-3) is a chemical compound with the molecular formula C33H44O9 and a molecular weight of 584.7 g/mol. IUPAC name: [(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate. InChIKey: BRVXVMOWTHQKHC-LKCWGRRXSA-N.

Identity
Molecular formulaC33H44O9
Molecular weight584.7 g/mol
IUPAC name[(1S,2S,3aR,4S,5S,6E,9R,11R,12E,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate
InChIKeyBRVXVMOWTHQKHC-LKCWGRRXSA-N
SMILESC[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)/C=C(/[C@@H](C[C@H](C(/C=C/[C@@H]([C@@H]2OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C)\C)O

Computed by PubChem (NCBI)

Synonyms: Euphornin, orb2279506
Related forms of this compound
[(1S,2S,3aR,4S,5S,6Z,9R,11R,12Z,13aS)-4,9,11-triacetyloxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1H-cyclopenta[12]annulen-1-yl] benzoate C33H44O9
Isomers (same molecular formula)
[17-acetyloxy-8-(furan-3-yl)-4,19-dihydroxy-1,9,11,16-tetramethyl-5,14-dioxapentacyclo[11.6.1.02,11.06,10.016,20]icos-9-en-12-yl] 2-methylbut-2-enoate C33H44O9