Primary Record
Isobrucein B
- In stock
- 5,952 g
- Purity
- 98.3 %
- CAS
- 53663-03-9
Compound Identifiers & Properties
- CAS
- 53663-03-9
- PubChem CID
- 99530
- SMILES
- CC1=CC(=O)[C@H]([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)(OC5)C(=O)OC)O)O)C)O
- Canonical SMILES
- COC(=O)[C@@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)[C@H](O)C(=O)C=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24
Names & Synonyms
- Isobrucein B
- ISOBRUCEINE B
- ISOBRUCEINE-B
- AC1L40YM
- RefChem:149062
- CHEMBL475082
- CHEBI:5988
- SCHEMBL31237975
- DTXSID80968432
- NSC 238181
- CID99530
- NSC238181
- 53663-03-9
- NSC-238181
- C23-H28-O11
- J20.706C
- C08770
- Q27106964
- methyl (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
- 5-hydroxy-6-(4-hydroxy-2-methyl-5,8-dioxo-1-naphthyl)-7-methyl-naphthalene-1,4-dione
- 15beta-Acetoxy-13,20-epoxy-1beta,11beta,12alpha-trihydroxy-2,16-dioxopicras-3-en-21-oic acid methyl ester
- methyl (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-3-(acetyloxy)-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
- methyl (1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-3-acetyloxy-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo(12.5.0.01,6.02,17.08,13)nonadec-9-ene-17-carboxylate
- Methyl 15beta-(acetyloxy)-1beta,11beta,12alpha-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
- Picras-3-en-21-oic acid, 15-(acetyloxy)-13,20-epoxy-1,11,12-trihydroxy-2,16-dioxo-, methyl ester, (1beta,11beta,12alpha,15beta)-