CAS 157141-17-8

15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-[(1E)-2-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,14,19-trihydroxy-16-methoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-

Description:

The chemical substance known as "15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone" with the CAS number "157141-17-8" is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and stereocenters. This compound features a pyrido-oxazacyclic framework, indicating the presence of nitrogen and oxygen heteroatoms within its cyclic structure. The presence of epoxy groups suggests potential reactivity, particularly in nucleophilic addition reactions. Additionally, the compound contains multiple hydroxyl (-OH) groups, which can enhance its solubility in polar solvents and may contribute to its biological activity. The stereochemistry indicated by the (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS) notation suggests that the compound has specific three-dimensional orientations that could influence its interactions with biological targets. Overall, this substance may exhibit significant pharmacological properties, making it of interest in medicinal chemistry and drug development.

Formula: C₄₂H₆₅NO₁₂

InChI: InChI=1S/C42H65NO12/c1-8-11-29-17-23(2)16-24(3)18-35(48)38-36(53-7)20-26(5)42(52,55-38)39(49)40(50)43-15-10-9-12-30(43)41(51)54-37(27(6)32(45)22-33(29)46)25(4)19-28-13-14-31(44)34(47)21-28/h8,17,19,24,26-32,34-38,44-45,47-48,52H,1,9-16,18,20-22H2,2-7H3/b23-17+,25-19+/t24-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37+,38+,42+/m0/s1

InChI key: InChIKey=SQPNWJSCMPVMSP-QSAHFJMLSA-N

SMILES: O[C@@]12O[C@@]([C@@H](OC)C[C@H]1C)([C@@H](O)C[C@@H](C)C\C(\C)=C\[C@@H](CC=C)C(=O)C[C@H](O)[C@@H](C)[C@@H](\C(=C\[C@H]3C[C@@H](O)[C@H](O)CC3)\C)OC(=O)[C@]4(N(C(=O)C2=O)CCCC4)[H])[H]

Synonyms:

• C15,C31-didemethyl-FK 506
• 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-[2-(3,4-dihydroxycyclohexyl)-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,14,19-trihydroxy-16-methoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, [3S-[3R*[E(1S*,3S*,4S*)],4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*]]-
• 15,31-Didesmethyltacrolimus
• 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-[(1E)-2-[(1R,3R,4R)-3,4-dihydroxycyclohexyl]-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,14,19-trihydroxy-16-methoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-

Tacrolimus Impurity 10

CAS: 157141-17-8

Formula: C₄₂H₆₅NO₁₂

Molecular weight: 776

Ref: ST-EA-CP-T39022