Account (3S,4R,5S,8R,12S,14S,15S,16S,18R,19R,26aS,E)-8-Allyl-5,16,19-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14-methoxy-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
- Catalog No. :
- ACBEIE783
- CAS No. :
- 139958-51-3
- Molecular Formula :
- C43H67NO12
- Molecular Weight :
- 790.00
IUPAC Name:(3S,4R,5S,8R,12S,14S,15S,16S,18R,19R,26aS,E)-8-allyl-5,16,19-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14-methoxy-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
![(3S,4R,5S,8R,12S,14S,15S,16S,18R,19R,26aS,E)-8-Allyl-5,16,19-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14-methoxy-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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,4R,5S,8R,12S,14S,15S,16S,18R,19R,26aS,E)-8-Allyl-5,16,19-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14-methoxy-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 |
|---|---|
| IUPAC Name | (3S,4R,5S,8R,12S,14S,15S,16S,18R,19R,26aS,E)-8-allyl-5,16,19-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14-methoxy-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 |
| Molecular Formula | C43H67NO12 |
| Molecular Weight | 790.00 |
| SMILES | C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2O |
| InChI Key | OGJRKILIPRVJFS-MNAQQUBESA-N |
| Synonym | 13-O-Desmethyl tacrolimusQ: What is 13-O-Desmethyl tacrolimus Q: What is the CAS Number of 13-O-Desmethyl tacrolimus;16,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26-hexadecahydro-5,16,19-trihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14-methoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S,4R,5S,8R,9E,12S,14S,15S,16S,18R,19R,26aS)-;16,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26-hexadecahydro-5,16,19-trihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14-methoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S,4R,5S,8R,9E,12S,...;Tacrolimus Impurity 35;13-O-Desmethyl tacrolimus;Tacrolimus Impurity 46;Tacrolimus Impurity 87 |
| CAS No. | 139958-51-3 |
Synthetic Route by SureRoute
2. ACBEIE783 Molecular Building Block Synthetic Route
(3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS,E)-8-Allyl-5,14,19-trihydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-16-methoxy-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
(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%2F20260802%2Fap-guangzhou%2Fs3%2Faws4_request&X-Amz-Date=20260802T075311Z&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=5a6edfd7e83efae30893c88fa9c321e60b581a7ab543e21b25a065101d861f3a)
(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