Primary Record
calyculin A
- In stock
- 9,549 g
- Purity
- 98.9 %
- CAS
- 101932-71-2
Compound Identifiers & Properties
- CAS
- 101932-71-2
- PubChem CID
- 171369638
- SMILES
- C[C@H]1[C@@H](C[C@@]2(C([C@H]([C@H](O2)[C@H](C[C@@H]([C@H](C)[C@@H]([C@H](C)/C=C(\C)/C(=C/C=C/C(=CC#N)C)/C)O)O)OC)OP(=O)(O)O)(C)C)O[C@H]1C/C=C/C3=COC(=N3)[C@@H](C)CCNC(=O)[C@H]([C@H]([C@H](COC)N(C)C)O)O)O
- Canonical SMILES
- COC[C@@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=CC#N)OC)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C
Names & Synonyms
- calyculin A
- 101932-71-2