Neokadsuranic acid A

cas: 123929-80-6 — see every product listed under this CAS number, including other names

Neokadsuranic acid A (CAS 123929-80-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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

(Z,6R)-6-[(4aR,6aS,6bS,9R,10aS,11bS)-4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1,2,4a,5,6,6a,7,8,9,10a-decahydrobenzo[a]fluoren-9-yl]-2-methylhept-2-enoic acid (CAS 123929-80-6) is a chemical compound with the molecular formula C30H44O3 and a molecular weight of 452.7 g/mol. IUPAC name: (Z,6R)-6-[(4aR,6aS,6bS,9R,10aS,11bS)-4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1,2,4a,5,6,6a,7,8,9,10a-decahydrobenzo[a]fluoren-9-yl]-2-methylhept-2-enoic acid. InChIKey: BQCSILLZKUEZCI-HGIOFNIASA-N.

Identity
Molecular formulaC30H44O3
Molecular weight452.7 g/mol
IUPAC name(Z,6R)-6-[(4aR,6aS,6bS,9R,10aS,11bS)-4,4,6b,11b-tetramethyl-10-methylidene-3-oxo-1,2,4a,5,6,6a,7,8,9,10a-decahydrobenzo[a]fluoren-9-yl]-2-methylhept-2-enoic acid
InChIKeyBQCSILLZKUEZCI-HGIOFNIASA-N
SMILESC[C@H](CC/C=C(/C)\C(=O)O)[C@H]1CC[C@]2([C@@H]3CC[C@@H]4[C@@](C3=C[C@H]2C1=C)(CCC(=O)C4(C)C)C)C

Computed by PubChem (NCBI)

Synonyms: Neokadsuranic acid A, orb2563996
Isomers (same molecular formula)
(1R,2R,5S,6R,9R,14R,15R,19S,21R)-2,5,6,10,10,14,21-heptamethyl-23-oxahexacyclo[19.2.1.02,19.05,18.06,15.09,14]tetracos-17-ene-11,22-dione C30H44O3
[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] undec-10-enoate C30H44O3
(2S,4S,7R,8S,9S,12R,13R,18R)-2,9,13,17,17-pentamethyl-7-(4-methylpent-3-enyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1(20)-ene-6,16-dione C30H44O3
(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid C30H44O3
(Z,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoic acid C30H44O3
5-methyl-2-[1-[(5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one C30H44O3
(E,6R)-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7-dioxo-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enal C30H44O3
(1S,4S,5R,8R,13S,14R,17S,18R)-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-ene-10,23-dione C30H44O3
(4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl) 5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-10-ene-5-carboxylate C30H44O3

Also listed as

(2Z,6R)-2-Methyl-6-[(4aR,6aS,6bS,9R,10aS,11bS)-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11b-tetradecahydro-4,4,6b,11b-tetramethyl-10-methylene-3-oxo-1H-benzo[a]fluoren-9-yl]-2-heptenoic acid, ≥98% Chemat CAS 123929-80-6

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