1,3-Diacetylvilasinin

cas: 78012-28-9 — see every product listed under this CAS number, including other names

1,3-Diacetylvilasinin (CAS 78012-28-9) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberDDA01228-1mg
cas78012-28-9
size1mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

1,3-diacetylvilasinin is a member of furans, a pentacyclic triterpenoid, a secondary alcohol, a limonoid and an acetate ester. It has a role as a metabolite and a plant metabolite.

Source: ChEBI

Identity
Molecular formulaC30H40O7
Molecular weight512.6 g/mol
IUPAC name[(1R,2R,5S,6R,10R,11S,12R,15R,16R,18S,19R)-18-acetyloxy-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.02,10.05,9.015,19]nonadec-8-en-16-yl] acetate
InChIKeyWGBLBVXSYGYVPN-VQDQNZKNSA-N
SMILESCC(=O)O[C@@H]1C[C@@H]([C@@]2([C@H]3CC[C@]4([C@@H](CC=C4[C@@]3([C@@H]([C@H]5[C@H]2[C@@]1(CO5)C)O)C)C6=COC=C6)C)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: 1,3-diacetylvilasinin, DIACETYLVILASININ, orb1684024
Isomers (same molecular formula)
(2R,6R)-2-methyl-4-oxo-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid C30H40O7
6-(3-hydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxohept-5-enoic acid C30H40O7
(E,4S,6R)-4-hydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid C30H40O7
(E)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C30H40O7
(6R)-6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12-hexahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid C30H40O7
[(1S,2R,7S,9R,11R,12S,13S,15R,16R)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate C30H40O7
(Z,2R)-6-[(5R,7S,10S,13R,14R,17R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C30H40O7
(E)-6-[(2R,3S,7R,9S,11R,15R,17R)-9,17-dihydroxy-2,6,6,11,15-pentamethyl-5,12-dioxo-14-pentacyclo[8.7.0.02,7.03,17.011,15]heptadec-1(10)-enyl]-2-methyl-4-oxohept-5-enoic acid C30H40O7

Also listed as

1，3–Diacetylvilasinin GLPBio CAS 78012-28-9