Methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-4-acetoxy-3,4-dimethylpent-2-enoyl)oxy)-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate, 99.52% ,, 99.52% ,

cas: 53729-52-5 — see every product listed under this CAS number, including other names

Methyl (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-4-(((E)-4-acetoxy-3,4-dimethylpent-2-enoyl)oxy)-1,2,9-trihydroxy-8,11a-dimethyl-5,10-dioxo-1,4,5,6a,7,7a,10,11,11a,11b-decahydro-2H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3(3aH)-carboxylate, 99.52% ,, 99.52% , (CAS 53729-52-5) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 25mg, 50mg, 5mg. Offered by: Chemat.

• 2D
• 3D

Bruceantinol is a triterpenoid.

Source: ChEBI

Identity

Molecular formula	C30H38O13
Molecular weight	606.6 g/mol
IUPAC name	methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-4-acetyloxy-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
InChIKey	SREUSBYRKOPNJK-AJPRWBMOSA-N
SMILES	CC1=C(C(=O)C[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)(C)OC(=O)C)(OC5)C(=O)OC)O)O)C)O

Computed by PubChem (NCBI)

Synonyms: BRUCEANTINOL, orb1217905, orb1297439

Isomers (same molecular formula)

[(1S,2S,4S,5R,6S,7S,8S,9S,12R)-4,5,8-triacetyloxy-6-(acetyloxymethyl)-2,12-dihydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate C₃₀H₃₈O₁₃