Chemical Compound

3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,19,20,21(4H,8H,23H)-PENTONE, 5,6,11,12,13,14,15,16,17,18,24,25,26,26A-TETRADECAHYDRO-5,15-DIHYDROXY-3-((1E)-2-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(2-PROPEN-1-YL)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26AS)-

CAS Registry Number 1393890-33-9
3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,19,20,21(4H,8H,23H)-PENTONE, 5,6,11,12,13,14,15,16,17,18,24,25,26,26A-TETRADECAHYDRO-5,15-DIHYDROXY-3-((1E)-2-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(2-PROPEN-1-YL)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26AS)- 结构式
Primary record

3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,19,20,21(4H,8H,23H)-PENTONE, 5,6,11,12,13,14,15,16,17,18,24,25,26,26A-TETRADECAHYDRO-5,15-DIHYDROXY-3-((1E)-2-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(2-PROPEN-1-YL)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26AS)-

库存
2,323 克
纯度
99.0 %
CAS
1393890-33-9

化合物标识与属性

CAS
1393890-33-9
PubChem CID
155923087
SMILES
C[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(=O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)C)OC)O)OC
Canonical SMILES
C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](OC)C[C@@H](C)C(=O)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)[C@H](C)[C@@H](O)CC1=O

名称与同义词

  • UNII-CJ99AS37NC
  • Tacrolimus EP Impurity F
  • CJ99AS37NC
  • Tacrolimus Impurity 16
  • TACROLIMUS COMPOUND I
  • TACROLIMUS IMPURITY F
  • Tacrolimus Open Ring Impurity
  • TACROLIMUS RING-OPENING IMPURITY
  • 1393890-33-9
  • TACROLIMUS COMPOUND I [EP IMPURITY]
  • TACROLIMUS MONOHYDRATE IMPURITY F [EP IMPURITY]
  • N0001-020738
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,15-Dihydroxy-3-((1E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-3,4,5,6,11,12,13,14,15,16,17,18,24,25,26,26a-hexadecahydro-7H-pyrido(2,1-C)(1,4)oxaazacyclotricosine-1,7,19,20,21(8H,23H)-pentone
  • (5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-8,18-dihydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,3,4,16,22-pentone
  • (3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-20-ethoxy-5,15,20-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-3,4,5,6,11,12,13,14,15,16,17,18,24,25,26,26a-hexadecahydro-7H-pyrido[2,1-c][1]oxa[4]azacyclotricosine-1,7,19,21(8H,20H,23H)-tetraone
  • (3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-5,15-dihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,11,12,13,14,15,16,17,18,24,25,26,26a-tetradecahydro-3H-pyrido[2,1-c][1]oxa[4]azacyclotricosine-1,7,19,20,21(4H,8H,23H)-pentaone
  • (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,15-dihydroxy-3-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(prop-2-en-1-yl)-3,4,5,6,11,12,13,14,15,16,17,18,24,25,26,26a-hexadecahydro-7H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,19,20,21(8H,23H)-pentone
  • 3H-PYRIDO(2,1-C)(1,4)OXAAZACYCLOTRICOSINE-1,7,19,20,21(4H,8H,23H)-PENTONE, 5,6,11,12,13,14,15,16,17,18,24,25,26,26A-TETRADECAHYDRO-5,15-DIHYDROXY-3-((1E)-2-((1R,3R,4R)-4-HYDROXY-3-METHOXYCYCLOHEXYL)-1-METHYLETHENYL)-14,16-DIMETHOXY-4,10,12,18-TETRAMETHYL-8-(2-PROPEN-1-YL)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,26AS)-