(1R,4R,5R,6R,9R,10S,13S)-5,9-Dimethyl-6-((E)-2-methylbut-2-enoyl)oxy-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxy lic acid

cas: 79406-09-0 — see every product listed under this CAS number, including other names

(1R,4R,5R,6R,9R,10S,13S)-5,9-Dimethyl-6-((E)-2-methylbut-2-enoyl)oxy-14-methylidenetetracyclo(11.2.1.01,10.04,9)hexadecane-5-carboxy lic acid (CAS 79406-09-0) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberEDA40609-5mg
cas79406-09-0
size5mg
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properties

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

(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid (CAS 79406-09-0) is a chemical compound with the molecular formula C25H36O4 and a molecular weight of 400.5 g/mol. IUPAC name: (1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid. InChIKey: HCVOJPQEMAKKFV-ZRAJGRQHSA-N.

Identity
Molecular formulaC25H36O4
Molecular weight400.5 g/mol
IUPAC name(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
InChIKeyHCVOJPQEMAKKFV-ZRAJGRQHSA-N
SMILESC/C=C(\C)/C(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]2[C@]1(C)C(=O)O)CC4=C)C

Computed by PubChem (NCBI)

Synonyms: ent-3Beta-Tigloyloxykaur-16-en-19-oic acid, 3alpha-Tigloyloxy-ent-kaur-16-en-oic acid, ent-3|?-Tigloyloxykaur-16-en-19-oic acid, ent-3|A-Tigloyloxykaur-16-en-19-oic acid
Related forms of this compound
(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C25H36O4
Isomers (same molecular formula)
(1'R,2S,3S,3'S,4'R,5R,7'S,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde C25H36O4
2-(10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl)-6-methoxy-3,5-dimethylpyran-4-one C25H36O4
7-[(Z)-2-[(1S,3aR,7aS)-7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene C25H36O4
[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C25H36O4
(9S,10R,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] C25H36O4
3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one C25H36O4
[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H36O4
(9R,10S,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] C25H36O4
[(13S,17S)-17-acetyloxy-13,17-diethyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C25H36O4
7-[(E)-2-[(1S,3aR,7aS)-7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene C25H36O4
3-[5-[2-[(1R,2R,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one C25H36O4

Also listed as

ent-3Beta-Tigloyloxykaur-16-en-19-oic acid MedChemExpress CAS 79406-09-0