Account [3S-[3R*[1R*,2R*,4(1S*,3S*,4S*)],6S*,10R*,12R*,13R*,14R*,16S*,17S*,24aR*]]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-Tetradecahydro-17-hydroxy-3-[2-hydroxy-4-(4-hydroxy-3-methoxycyclohexyl)-1,3-dimethyl-3-butenyl]-12,14-dimethoxy-8,10,16-trimethyl-6-(2-propenyl)-13,17-epoxy-3H-pyrido[2,1-c][1,4]oxaazacycloheneicosine-1,5,18,19(4H,21H)-tetrone
- Catalog No. :
- ACPQXE381
- CAS No. :
- 134590-88-8
- Molecular Formula :
- C44H69NO12
- Molecular Weight :
- 804.03
IUPAC Name:6-allyl-17-hydroxy-3-(3-hydroxy-5-(4-hydroxy-3-methoxycyclohexyl)-4-methylpent-4-en-2-yl)-12,14-dimethoxy-8,10,16-trimethyl-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1]oxa[4]azacyclohenicosine-1,5,18,19(4H,21H)-tetraone
![[3S-[3R*[1R*,2R*,4(1S*,3S*,4S*)],6S*,10R*,12R*,13R*,14R*,16S*,17S*,24aR*]]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-Tetradecahydro-17-hydroxy-3-[2-hydroxy-4-(4-hydroxy-3-methoxycyclohexyl)-1,3-dimethyl-3-butenyl]-12,14-dimethoxy-8,10,16-trimethyl-6-(2-propenyl)-13,17-epoxy-3H-pyrido[2,1-c][1,4]oxaazacycloheneicosine-1,5,18,19(4H,21H)-tetrone structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | [3S-[3R*[1R*,2R*,4(1S*,3S*,4S*)],6S*,10R*,12R*,13R*,14R*,16S*,17S*,24aR*]]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-Tetradecahydro-17-hydroxy-3-[2-hydroxy-4-(4-hydroxy-3-methoxycyclohexyl)-1,3-dimethyl-3-butenyl]-12,14-dimethoxy-8,10,16-trimethyl-6-(2-propenyl)-13,17-epoxy-3H-pyrido[2,1-c][1,4]oxaazacycloheneicosine-1,5,18,19(4H,21H)-tetrone |
|---|---|
| IUPAC Name | 6-allyl-17-hydroxy-3-(3-hydroxy-5-(4-hydroxy-3-methoxycyclohexyl)-4-methylpent-4-en-2-yl)-12,14-dimethoxy-8,10,16-trimethyl-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1]oxa[4]azacyclohenicosine-1,5,18,19(4H,21H)-tetraone |
| Molecular Formula | C44H69NO12 |
| Molecular Weight | 804.03 |
| SMILES | O=C1OC(CC(=O)C(C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC13)C(C)CC2OC)CC=C)C(C)C(O)C(=CC4CCC(O)C(OC)C4)C |
| InChI Key | YXGKFJMGANONSQ-UHFFFAOYSA-N |
| Synonym | Iso-FK-506 (iso-TacroliMus);[3S-[3R*[1R*,2R*,4(1S*,3S*,4S*)],6S*,10R*,12R*,13R*,14R*,16S*,17S*,24aR*]];TacroliMus Lactone IsoMer;Tacrolimus Impurity 24（Tacrolimus Lactone Isomer）;iso-Tacrolimus;13,17-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacycloheneicosine-1,5,18,19(4H,21H)-tetrone, 6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-17-hydroxy-3-[2-hydroxy-4-(4-hydroxy-3-methoxycyclohexyl)-1,3-dimethyl-3-butenyl]-12,14-dimethoxy-8,10,16-trimethyl-6-(2-propenyl)-, [3S-[3R*[1R*,2R*,4(1S*,3S*,4...;Tacrolimus Impurity 13;ISO TACROLIMUS/TACROLIMUS LACTONE ISOMER |
| CAS No. | 134590-88-8 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301
- Precautionary Statement(s)
- P264-P270-P301+P310+P330-P405-P501
Synthetic Route by SureRoute
2. ACPQXE381 Molecular Building Block Synthetic Route
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-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)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone
![(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-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)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate structure diagram](https://xchemchain-prod-1253699568.cos.ap-guangzhou.myqcloud.com/production/attachments/2026/07/22/4wq7/109581-93-3.png?X-Amz-Algorithm=AWS4-HMAC-SHA256&X-Amz-Credential=AKIDT0SoARehYSEnT2RxQiomY7TcckkZDlIx%2F20260803%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260803T102519Z&X-Amz-Expires=86400&X-Amz-SignedHeaders=host&response-content-disposition=attachment%3B%20filename%3D%22109581-93-3.png%22&x-id=GetObject&X-Amz-Signature=438decbda3579d3b62f734170f85bd36bfc09d902d6895da0a9193f045c6a0e0)
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-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)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone monohydrate
(3S,4R,5S,8S,12S,14S,15R,16S,18R,19R,26aS,E)-8-allyl-5,19-dihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1]oxa[4]azacyclotricosine-1,7,20,21(4H,23H)-tetraone