7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone

cas: 80514-14-3 — see every product listed under this CAS number, including other names

7β-(3-Ethyl-cis-crotonoyloxy)-1α-(2-methylbutyryloxy)-3,14-dehydro-Z-notonipetranone (CAS 80514-14-3) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberFDA51414-10mg
cas80514-14-3
size10mg
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properties

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

[(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate (CAS 80514-14-3) is a chemical compound with the molecular formula C26H38O5 and a molecular weight of 430.6 g/mol. IUPAC name: [(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate. InChIKey: XTQQLVJPORCMAK-NMNXYZJCSA-N.

Identity
Molecular formulaC26H38O5
Molecular weight430.6 g/mol
IUPAC name[(1Z,3S,3aR,5R,7S,7aS)-1-ethylidene-3-(2-methylbutanoyloxy)-4-methylidene-2-oxo-7-propan-2-yl-3,3a,5,6,7,7a-hexahydroinden-5-yl] (E)-3-methylpent-2-enoate
InChIKeyXTQQLVJPORCMAK-NMNXYZJCSA-N
SMILESCCC(C)C(=O)O[C@H]1[C@@H]2[C@H]([C@@H](C[C@H](C2=C)OC(=O)/C=C(\C)/CC)C(C)C)/C(=C/C)/C1=O

Computed by PubChem (NCBI)

Synonyms: Anti-inflammatory agent 69, orb1683310
Isomers (same molecular formula)
(4R,8'R,9'S,10'R,13'S,14'S)-2-ethoxy-2-ethyl-10',13'-dimethylspiro[1,3-dioxane-4,17'-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-3',5-dione C26H38O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2,3-trimethylbut-3-enoate C26H38O5
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxo-5-phenylpentyl)cyclopentyl]hept-5-enoate C26H38O5
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate C26H38O5
3-[3-[3-(3-phenylmethoxypropoxy)propoxy]propoxy]propoxymethylbenzene C26H38O5
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]hept-5-enoate C26H38O5
propan-2-yl (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]-5-oxocyclopentyl]hept-5-enoate C26H38O5
4-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbutanoyl)-5,5-bis(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-6-one C26H38O5

Also listed as

Anti-inflammatory agent 69 MedChemExpress CAS 80514-14-3