Primary Record
Trioxacarcin B
- In stock
- 4,175 g
- Purity
- 98.8 %
- CAS
- 81534-36-3
Compound Identifiers & Properties
- CAS
- 81534-36-3
- PubChem CID
- 3086133
- SMILES
- C[C@H]1[C@H]([C@](C[C@@H](O1)OC2CC(C(=O)C3=C(C4=C(C=C(C5=C4OC6(C7C5OC(C6(CO)O)(O7)C(OC)OC)O[C@H]8C[C@H]([C@]([C@@H](O8)C)(C(=O)C)O)O)C)C(=C23)OC)O)O)(C)O)OC(=O)C
- Canonical SMILES
- COc1c2c(c(O)c3c4c(c(C)cc13)C1OC3(C(OC)OC)OC1C(O[C@H]1C[C@@H](O)[C@@](O)(C(C)=O)[C@H](C)O1)(O4)C3(O)CO)C(=O)C(O)CC2O[C@H]1C[C@@](C)(O)[C@H](OC(C)=O)[C@H](C)O1
Names & Synonyms
- Trioxacarcin B
- Antibiotic DC 45B1
- RefChem:933469
- DC-45-B1
- AC1MJ5N1
- CQJDAANTQZISCH-HTEYAJGQSA-N
- C42H54O21
- CID3086133
- 81534-36-3
- C42-H54-O21
- Trioxacarcin A, 14,17-deepoxy-14,17-dihydroxy-
- [(2S,3R,4R,6R)-6-[[17-[(2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyloxan-2-yl]oxy-19-(dimethoxymethyl)-10,13,18-trihydroxy-18-(hydroxymethyl)-6-methoxy-3-methyl-11-oxo-16,20,22-trioxahexacyclo[17.2.1.02,15.05,14.07,12.017,21]docosa-2(15),3,5(14),6,12-pentaen-8-yl]oxy]-4-hydroxy-2,4-dimethyloxan-3-yl] acetate
- (2S,3R,4R,6R)-6-((13a-(((2S,4R,5S,6S)-5-acetyl-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-(dimethoxymethyl)-1,10,12-trihydroxy-1-(hydroxymethyl)-7-methoxy-5-methyl-11-oxo-1,3a,4,8,9,10,11,13a-octahydro-2H-2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromen-8-yl)oxy)-4-hydroxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate