3-o-(2'E,4'Z-Decadienoyl)ingenol

cas: 84680-59-1 — see every product listed under this CAS number, including other names

3-o-(2'E,4'Z-Decadienoyl)ingenol (CAS 84680-59-1) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberJDA68059-25mg
cas84680-59-1
size25mg
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properties

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

[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (2E,4Z)-deca-2,4-dienoate (CAS 84680-59-1) is a chemical compound with the molecular formula C30H42O6 and a molecular weight of 498.6 g/mol. IUPAC name: [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (2E,4Z)-deca-2,4-dienoate. InChIKey: XMXZQPNIMGCMHC-JFSCPWEMSA-N.

Identity
Molecular formulaC30H42O6
Molecular weight498.6 g/mol
IUPAC name[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (2E,4Z)-deca-2,4-dienoate
InChIKeyXMXZQPNIMGCMHC-JFSCPWEMSA-N
SMILESCCCCC/C=C\C=C\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C

Computed by PubChem (NCBI)

Synonyms: 3-O-(2'E,4'Z-decadienoyl)ingenol, orb1992479
Related forms of this compound
[(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (2E,4E)-deca-2,4-dienoate C30H42O6
Isomers (same molecular formula)
[(1R,3Z,5R,7S,9R,10Z,12S,13S,14R)-1-acetyloxy-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-9-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (2E,4Z)-octa-2,4-dienoate C30H42O6
(1S,2S,4R,6S,9S,10R,11R,14R,15R)-17-hydroxy-6-(2-hydroxypropan-2-yl)-2,9,11,14,19,19-hexamethyl-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docosa-16,20-diene-8,13,18-trione C30H42O6
(1S,2R,6S,7S,9R,11S,12S,15R,16S)-6-methoxy-15-[(1S)-1-[(2R)-5-(methoxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one C30H42O6
(E,6R)-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-methylhept-2-enoic acid C30H42O6
(Z)-6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C30H42O6
6-[(5R,10S,13R,14R,15S,17R)-15-hydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxohept-5-enoic acid C30H42O6

Also listed as

3–O–(2'E，4'Z–Decadienoyl)ingenol GLPBio CAS 84680-59-1