12-Oxograndiflorenic acid

cas: 74284-42-7 — see every product listed under this CAS number, including other names

12-Oxograndiflorenic acid (CAS 74284-42-7) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote. Offered by: Biosynth, MedChemExpress.

brandBiosynth
catalog numberZCA28442-5mg
cas74284-42-7
size5mg
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properties

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

(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidene-12-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid (CAS 74284-42-7) is a chemical compound with the molecular formula C20H26O3 and a molecular weight of 314.4 g/mol. IUPAC name: (1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidene-12-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid. InChIKey: ZIWVZWGUPHJFMN-XXEDRWDRSA-N.

Identity
Molecular formulaC20H26O3
Molecular weight314.4 g/mol
IUPAC name(1S,4S,5R,9R,13S)-5,9-dimethyl-14-methylidene-12-oxotetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylic acid
InChIKeyZIWVZWGUPHJFMN-XXEDRWDRSA-N
SMILESC[C@@]12CCC[C@@]([C@H]1CC[C@]34C2=CC(=O)[C@@H](C3)C(=C)C4)(C)C(=O)O

Computed by PubChem (NCBI)

Synonyms: 12-Oxograndiflorenic acid, Kaura-9(11),16-dien-18-oic acid, 12-oxo-, (4| cent)-
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

12–Oxograndiflorenic acid GLPBio CAS 74284-42-7