Caesalpine A

cas: 1616757-59-5 — see every product listed under this CAS number, including other names

Caesalpine A (CAS 1616757-59-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, Get quote. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat.

brandGLPBio
catalog numberGF15596-5mg
cas1616757-59-5
size5mg
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Structural formula: {0} (CAS {1})

Methyl (1S,4aR,6S,6aR,7S,11aS,11bS)-6-acetyloxy-1,4a-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate (CAS 1616757-59-5) is a chemical compound with the molecular formula C23H32O7 and a molecular weight of 420.5 g/mol. IUPAC name: methyl (1S,4aR,6S,6aR,7S,11aS,11bS)-6-acetyloxy-1,4a-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate. InChIKey: UQNOSWRXLARWGA-PYMXQXNBSA-N.

Identity
Molecular formulaC23H32O7
Molecular weight420.5 g/mol
IUPAC namemethyl (1S,4aR,6S,6aR,7S,11aS,11bS)-6-acetyloxy-1,4a-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate
InChIKeyUQNOSWRXLARWGA-PYMXQXNBSA-N
SMILESCC(=O)O[C@H]1C[C@@]2([C@]([C@H](CCC2(C)C)O)([C@@H]3[C@@H]1[C@@H](C4=C(C3)OC=C4)C(=O)OC)C)O

Computed by PubChem (NCBI)

Synonyms: Caesalpine A, orb1683020
Isomers (same molecular formula)
[2-oxo-2-[(8S,9R,10S,11S,13S,14S,17R)-9,11,17-trihydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H32O7
[2-oxo-2-[(8S,9S,10R,11S,13S,14S,16R,17S)-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H32O7
[2-oxo-2-[(6S,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H32O7
2-[3,4-bis(oxan-2-yloxy)phenyl]-2-(oxan-2-yloxy)acetaldehyde C23H32O7
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6S,7S)-6,7-dihydroxyocta-2,4-dienoate C23H32O7
[2-oxo-2-[(6R,8S,9S,10R,11S,13S,14S,17R)-6,11,17-trihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] acetate C23H32O7
methyl (1S,4aR,6S,6aR,7S,11aS,11bS)-1-acetyloxy-4a,6-dihydroxy-4,4,11b-trimethyl-2,3,5,6,6a,7,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-7-carboxylate C23H32O7

Also listed as

Caesalpine A Biosynth CAS 1616757-59-5