(1R,2R,5R,8S,9R,10R,13R,17S)-2,9-Dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo(8.6.1.15,8.02,8.013,17)octadecane-7,12-dione

cas: 59885-89-1 — see every product listed under this CAS number, including other names

(1R,2R,5R,8S,9R,10R,13R,17S)-2,9-Dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo(8.6.1.15,8.02,8.013,17)octadecane-7,12-dione (CAS 59885-89-1) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 10mg, 50mg. Offered by: Biosynth.

brandBiosynth
catalog numberJCA88589-25mg
cas59885-89-1
size25mg
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Structural formula: {0} (CAS {1})

(1R,2R,5R,8S,9R,10R,13R,17S)-2,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecane-7,12-dione (CAS 59885-89-1) is a chemical compound with the molecular formula C20H26O5 and a molecular weight of 346.4 g/mol. IUPAC name: (1R,2R,5R,8S,9R,10R,13R,17S)-2,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecane-7,12-dione. InChIKey: AZDQVPBPXMWTKM-IWRFGKRASA-N.

Identity
Molecular formulaC20H26O5
Molecular weight346.4 g/mol
IUPAC name(1R,2R,5R,8S,9R,10R,13R,17S)-2,9-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.15,8.02,8.013,17]octadecane-7,12-dione
InChIKeyAZDQVPBPXMWTKM-IWRFGKRASA-N
SMILESC[C@@]12CCC[C@@]3([C@@H]1[C@H]([C@@H]([C@]45[C@]3(CC[C@H](C4)C(=C)C5=O)O)O)OC2=O)C

Computed by PubChem (NCBI)

Synonyms: ent-7alpha,9-Dihydroxy-15-oxokaur-16-en-19,6bet-olide, ent-7|A,9-Dihydroxy-15-oxokaur-16-en-19,6|A-olide, ent-7alpha,9-Dihydroxy-15-oxokaur-16-en-19,6beta-olide, ent-7|A,9-Dihydroxy-, orb1682669, 15-oxokaur-16-en-19,6|A-olide, ent-7alpha9-Dihydroxy-15-oxokaur-16-en-196beta-olide
Isomers (same molecular formula)
2-(3-hexyl-4,8-dimethyl-2-oxochromen-7-yl)oxypropanoic acid C20H26O5
[(8R,9S,13S,14S,15R,16R,17S)-3,15,16-trihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate C20H26O5
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
methyl (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate C20H26O5
(1R,2S,3S,4R,8R,9R,12R)-8-formyl-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C20H26O5
(1R,2R,5S,8S,9S,10S,11R)-5-hydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid C20H26O5
(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid C20H26O5
(1R,8R,9R,10S)-3,4,9-trihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one C20H26O5
(1R,2R,5R,8R,9S,10R,11S,12S,13R)-12-hydroxy-11,13-dimethyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid C20H26O5
16,18-dimethoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione C20H26O5
4,5,5-trideuterio-16,18-dimethoxy-4-(trideuteriomethyl)-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione C20H26O5

Also listed as

ent-7α,9-Dihydroxy-15-oxokaur-16-en-19,6β-olide MedChemExpress CAS 59885-89-1