CAS 20485-01-2

(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

Description:

The chemical substance with the name "(5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione" and CAS number "20485-01-2" is a complex organic compound characterized by its intricate polycyclic structure, which includes multiple fused rings and functional groups. This compound features acetyloxy groups that enhance its reactivity and solubility in organic solvents. The stereochemistry indicated by the specific configuration at various chiral centers suggests that it may exhibit unique biological activity or pharmacological properties. The presence of sulfur atoms in its structure may contribute to its chemical stability and potential interactions with biological systems. Additionally, the compound's classification as a dione implies that it contains two carbonyl groups, which can participate in various chemical reactions, including nucleophilic additions and condensation reactions. Overall, this substance is of interest in fields such as medicinal chemistry and organic synthesis due to its structural complexity and potential applications.

Formula: C₂₂H₂₀N₂O₈S₂

InChI: InChI=1S/C22H20N2O8S2/c1-11(25)31-15-3-5-29-9-13-7-21-20(28)24-18-14(10-30-6-4-16(18)32-12(2)26)8-22(24,34-33-21)19(27)23(21)17(13)15/h3-6,9-10,15-18H,7-8H2,1-2H3/t15-,16-,17-,18-,21+,22+/m0/s1

InChI key: InChIKey=OHTZNUUGYPDWEB-NEEVBFIGSA-N

SMILES: O=C1[C@@]23N([C@]4(C(C2)=COC=C[C@@H]4OC(C)=O)[H])C(=O)[C@]5(N1[C@]6(C(C5)=COC=C[C@@H]6OC(C)=O)[H])SS3

Synonyms:

• 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,13-bis(acetyloxy)-5,5a,13,13a-tetrahydro-, (5S,5aS,7aR,13S,13aS,15aR)-
• LL-S 88α
• 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,5a,13,13a-tetrahydro-5,13-dihydroxy-, diacetate (ester)
• 8H,16H-7a,15a-Epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione, 5,13-bis(acetyloxy)-5,5a,13,13a-tetrahydro-, [5S-(5α,5aα,7aβ,13α,13aα,15aβ)]-
• (5S,5aS,7aR,13S,13aS,15aR)-5,13-Bis(acetyloxy)-5,5a,13,13a-tetrahydro-8H,16H-7a,15a-epidithio-7H,15H-bisoxepino[3′,4′:4,5]pyrrolo[1,2-a:1′,2′-d]pyrazine-7,15-dione

Acetylaranotin

CAS: 20485-01-2

Acetylaranotin belongs to one structural subgroup of ETPs characterized by the presence of a seven-membered 4,5-dihydrooxepine ring.

Formula: C₂₂H₂₀N₂O₈S₂

Color and Shape: Solid

Molecular weight: 504.53

Ref: TM-T29597