(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-Trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate

Catalog No. :: ACKLNB204
CAS No. :: 1817841-22-7
Molecular Formula :: C32H48BrN3O4
Molecular Weight :: 618.66

IUPAC Name:(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate

(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-Trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate structure diagram

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Product Information

Product Name	(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-Trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate
IUPAC Name	(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate
MDL No.	MFCD34676879
Molecular Formula	C32H48BrN3O4
Molecular Weight	618.66
SMILES	O=C(O[C@H](C1)CC[C@@]2(C)C1(C=C3)N(C(N(C)C4=O)=O)N4C53[C@@](CC[C@@H]6[C@@H](CCCC(C)C)C)([H])[C@]6(C)CC[C@]25[H])CBr
InChI Key	LBFDLJSQMPCWKK-YMNKQYQVSA-N
Synonym	Acetic acid, 2-bromo-, (6S,8aR,8bR,10aR,11R,13aR)-11-[(1R)-1,5-dimethylhexyl]-2,3,5,6,7,8,8a,8b,10,10a,11,12,13,13a-tetradecahydro-2,8a,10a-trimethyl-1,3-dioxo-4a,13b-etheno-1H,9H-benzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-6-yl ester;MeTC7;(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-Trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate
CAS No.	1817841-22-7

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H302-H314
Precautionary Statement(s): P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501

Synthetic Route by SureRoute

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(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-Trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate

Product Information

Safety Data

Synthetic Route by SureRoute

1. ACKLNB204 Molecular Building Block Synthetic Route

2. ACKLNB204 Molecular Building Block Synthetic Route

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(2S,4aR,4bR,6aR,7R,9aR)-4a,6a,12-Trimethyl-7-((R)-6-methylheptan-2-yl)-11,13-dioxo-2,3,4,4a,4b,5,6,6a,7,8,9,9a,12,13-tetradecahydro-1H,11H-9b,14a-ethenobenzo[c]cyclopenta[h][1,2,4]triazolo[1,2-a]cinnolin-2-yl 2-bromoacetate

Product Information

Safety Data

Synthetic Route by SureRoute

2-Methyl-5-vinyltetrahydro-1H-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione

(4aR,6aR,7R,9aR,11S)-11-((3S,5R)-3,5-dihydroxy-2-methylcyclohex-1-en-1-yl)-6a-methyl-7-((R)-6-methylheptan-2-yl)-2-phenyl-4a,6,6a,7,8,9,9a,11-octahydro-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione

Impurity C of Calcitriol

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