CAS 1220508-32-6

Methyl (αS,4R,4aR,6aS,7R,8S,10S,11R)-α,10-bis(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-7,11-methano-2H-cycloocta[f][2]benzopyran-8-acetate

Description:

The chemical substance known as Methyl (αS,4R,4aR,6aS,7R,8S,10S,11R)-α,10-bis(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-7,11-methano-2H-cycloocta[f][2]benzopyran-8-acetate, with CAS number 1220508-32-6, is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This substance features a bicyclic framework, incorporating both furan and benzopyran moieties, which contribute to its potential biological activity. The presence of acetoxy groups suggests that it may exhibit reactivity typical of esters, potentially influencing its solubility and interaction with biological targets. Additionally, the compound's dioxo functionality indicates the presence of two carbonyl groups, which may play a role in its chemical reactivity and stability. Overall, the structural complexity and functional diversity of this compound suggest potential applications in medicinal chemistry, although specific biological activities would require further investigation.

Formula: C₃₁H₃₈O₁₁

InChI: InChI=1S/C31H38O11/c1-15(32)40-22(25(35)38-7)23-28(3,4)27(41-16(2)33)31(37)13-18-19(30(23,6)26(31)36)8-10-29(5)20(18)12-21(34)42-24(29)17-9-11-39-14-17/h9,11,14,19,22-24,27,37H,8,10,12-13H2,1-7H3/t19-,22-,23-,24-,27-,29+,30+,31-/m0/s1

InChI key: InChIKey=IIMNVYONHWBCNL-AHPYDNBMSA-N

SMILES: C[C@@]12[C@@]([C@@H](C(OC)=O)OC(C)=O)(C(C)(C)[C@H](OC(C)=O)[C@@](O)(C1=O)CC=3[C@@]2(CC[C@]4(C)C3CC(=O)O[C@H]4C=5C=COC5)[H])[H]

Synonyms:

• Methyl (αS,4R,4aR,6aS,7R,8S,10S,11R)-α,10-bis(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-7,11-methano-2H-cycloocta[f][2]benzopyran-8-acetate
• 7,11-Methano-2H-cycloocta[f][2]benzopyran-8-acetic acid, α,10-bis(acetyloxy)-4-(3-furanyl)-1,4,4a,5,6,6a,7,8,9,10,11,12-dodecahydro-11-hydroxy-4a,7,9,9-tetramethyl-2,13-dioxo-, methyl ester, (αS,4R,4aR,6aS,7R,8S,10S,11R)-
• Khayalenoid H