7–Oxodehydroabietic acid

cas: 18684-55-4 — see every product listed under this CAS number, including other names

7–Oxodehydroabietic acid (CAS 18684-55-4) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: GLPBio.

brandGLPBio
catalog numberGC64449-5
cas18684-55-4
size5mg
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Available pack sizes

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GLPBio 5mg 5469.44 Pln

properties

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Structural formula: {0} (CAS {1})

(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (CAS 18684-55-4) is a chemical compound with the molecular formula C20H26O3 and a molecular weight of 314.4 g/mol. IUPAC name: (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid. InChIKey: MSWJSDLNPCSSNW-MISYRCLQSA-N.

Identity
Molecular formulaC20H26O3
Molecular weight314.4 g/mol
IUPAC name(1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid
InChIKeyMSWJSDLNPCSSNW-MISYRCLQSA-N
SMILESCC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2=O)(C)C(=O)O)C

Computed by PubChem (NCBI)

Synonyms: 7-ketodehydro-abietic acid, Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo-, 7-Ketodehydroabietic acid, 7-oxocallitrisic acid, 13-Isopropyl-7-oxopodocarpa-8,11,13-trien-15-oic acid, 4-10-00-02942 (Beilstein Handbook Reference), orb1691413, 7-oxo-8,11,13-abietatrien-18-oic acid, 7-Oxoabieta-8,11,13-trien-18-oic acid
Isomers (same molecular formula)
(8S,13S,14S)-13-methylspiro[1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-one C20H26O3
(8R,9S,10R,13S,14S)-6-(hydroxymethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione C20H26O3
2-tert-butyl-1-[2-(4-methoxyphenoxy)ethoxy]-4-methylbenzene C20H26O3
trans-(2R,3S)-2-ethyl-3-hydroxy-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]cyclopentan-1-one C20H26O3
(6R,8R,9S,10R,13S,14S,17R)-17-ethynyl-6,17-dihydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one C20H26O3
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid C20H26O3
(8S,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C20H26O3
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate C20H26O3
(8S,13S,14S,17S)-17-acetyl-17-hydroxy-13-methyl-1,2,4,6,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one C20H26O3
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid C20H26O3
(1S,4S,12S,13R,16R,17R)-17-(hydroxymethyl)-12-methyl-8-oxapentacyclo[14.2.1.01,13.04,12.05,9]nonadeca-5(9),6,10-trien-17-ol C20H26O3
(5S,8R,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-2,4,5,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione C20H26O3

Also listed as

7-Oxodehydroabietic acid Biosynth CAS 18684-55-4
7-Oxodehydroabietic acid, 99%, 99% Chemat CAS 18684-55-4
7-Oxodehydroabietic acid, 99.67% MedChemExpress CAS 18684-55-4