(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate

Catalog No. :: ACITXF224
CAS No. :: 185213-52-9
Molecular Formula :: C20H22O6
Molecular Weight :: 358.39

IUPAC Name:(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate

(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate structure diagram

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Product Information

Product Name	(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate
IUPAC Name	(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate
MDL No.	-
Molecular Formula	C20H22O6
Molecular Weight	358.39
SMILES	C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)C(=O)O3
InChI Key	FTPHYXGWMIZVMP-RZYABJHASA-N
Synonym	Scabertopin;Gpr52 antagonist E7 (Scabertopin);2-Butenoic acid, 2-methyl-, (3aR,4S,9S,11E,12aR)-2,3,3a,4,5,9,10,12a-octahydro-11-methyl-3-methylene-2,7-dioxo-7H-9,6-methenofuro[2,3-f]oxacycloundecin-4-yl ester, (2Z)-;Scabertopin, 10 mM in DMSO
CAS No.	185213-52-9

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ACITXF224185213-52-9

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(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate

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Synthetic Route by SureRoute

1. ACITXF224 Molecular Building Block Synthetic Route

2. ACITXF224 Molecular Building Block Synthetic Route

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(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl (Z)-2-methylbut-2-enoate

Product Information

Synthetic Route by SureRoute

(Z)-(3aR,4S,9R,12aR,E)-11-Methyl-3-methylene-2,7-dioxo-3,3a,4,5,7,9,10,12a-octahydro-2H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl 2-methylbut-2-enoate

(3aR,4S,9R,11E,12aR)-11-Methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl methacrylate

(3aR,4S,6Z,9S,11E,12aR)-11-methyl-3-methylene-2,7-dioxo-2,3,3a,4,5,9,10,12a-octahydro-7H-6,9-(metheno)furo[2,3-f][1]oxacycloundecin-4-yl methacrylate

10-methyl-4-((2-methylbut-2-enoyl)oxy)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-carboxylic acid

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