Chemical Compound

(3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-5,15,20,20-tetrahydroxy-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

CAS Registry Number 144432-23-5
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(3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-5,15,20,20-tetrahydroxy-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 结构式
Primary record

(3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-5,15,20,20-tetrahydroxy-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

库存
9,434 克
纯度
98.2 %
CAS
144432-23-5

化合物标识与属性

CAS
144432-23-5
PubChem CID
72941686
SMILES
C[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(=O)C(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)(O)O)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)(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

  • Oxacyclohexane open ring tacrolimus
  • Tacrolimus Impurity 8
  • UNII-81QVK492XQ
  • Tacrolimus Impurity 54
  • 81QVK492XQ
  • Tacrolimus Open Ring Impurity
  • 144432-23-5
  • BBF-05769
  • IO183660
  • Tacrolimus related compound, tacrolimus open ring- [USP]
  • Q27269265
  • N0001-009821
  • (5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-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-2,4,16,22-tetrone
  • TACROLIMUS RELATED COMPOUND, TACROLIMUS OPEN RING- [USP IMPURITY]
  • 3H-Pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,19,21(4H,8H,12H,23H)-tetrone
  • (3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-5,15,20,20-tetrahydroxy-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