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
- 2534
- SMILES
- CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O
- Canonical SMILES
- COCC(C(O)C(O)C(=O)NCCC(C)c1nc(C=CCC2OC3(CC(O)C2C)OC(C(CC(O)C(C)C(O)C(C)C=C(C)C(C)=CC=CC(C)=CC#N)OC)C(OP(=O)(O)O)C3(C)C)co1)N(C)C
Names & Synonyms
- calyculin A
- hemicalyculin A
- Calyculin B
- (-)-calyculin A
- AC1L1DW8
- UNII-7D07U14TK3
- CCRIS 3706
- CID2534
- C50H81N4O15P
- C50-H81-N4-O15-P
- ICX5609251
- 101932-71-2
- [(2R,3R,5R,7R,8S,9S)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl]-9-[(E)-3-[2-[(2S)-4-[[(2S,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] dihydrogen phosphate
- [3-(14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyltetradeca-7,9,11,13-tetraenyl)-9-[3-[2-[4-[[4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]butan-2-yl]-1,3-oxazol-4-yl]prop-2-enyl]-7-hydroxy-1,1,8-trimethyl-4,10-dioxaspiro[4.5]decan-2-yl] dihydrogen phosphate
- L-Ribonamide, N-[(3S)-3-[4-[(1E)-3-[(2R,3R,5R,7S,8S,9R)-2-[(1S,3S,4S,5R,6R,7E,9E,11E,13Z)-14-cyano-3,5-dihydroxy-1-methoxy-4,6,8,9,13-pentamethyl-7,9,11,13-tetradecatetraenyl]-9-hydroxy-4,4,8-trimethyl-3-(phosphonooxy)-1,6-dioxaspiro[4.5]dec-7-yl]-1-prope