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CAS 1782958-97-7

(3aS,9aS,10S,13R,13aR,13bS)-13-Hydroxy-6,9a,14,14-tetramethyl-2,8-dioxo-13-[(trimethylsilyl)methyl]-5,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate

Codes:(XIII)101438-56-a,(XIII)101438-56-b

Application context (from source-drug indications)

乳腺癌Paclitaxel/Encequidar mesylate腺癌Paclitaxel/Encequidar mesylate血管肉瘤Paclitaxel/Encequidar mesylate实体瘤Paclitaxel/Encequidar mesylate

Source drugs (routes using this intermediate)

DrugTierExpiry
Paclitaxel/Encequidar mesylatePaclitaxel/Encequidar mesylateTier C — Watch / trade-

Position in synthesis routes (up/downstream chain)

Ordered by route registration; left → right is the synthesis direction. The highlighted node is the current CAS; others link to their own profiles.

Paclitaxel/Encequidar mesylate优化路线steps: 11total yield: /
(3aS,7S,8R,9aS,10S,13S,13aS,13bS)-8-Hydroxy-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,9aS,10S,13S,13aS,13bS)-13-(Methoxymethoxy)-6,9a,14,14-tetramethyl-2,8-dioxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,8S,9aS,10S,13S,13aS,13bS)-8-Hydroxy-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13aR,13bS)-8-(Benzyloxy)-6,9a,14,14-tetramethyl-2,13-dioxo-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,5R,6S,7S,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-5,6-dihydroxy-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxododecahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,5R,6S,7S,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-5,6-bis[[(methylsulfanyl)carbonothioyl]oxy]-2-oxododecahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-hydroxy-6,9a,14,14-tetramethyl-2-oxo-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→Chloro[(trimethylsilyl)methyl]magnesium→(3aS,8S,9aS,10S,13R,13aR,13bS)-8-(Benzyloxy)-13-hydroxy-6,9a,14,14-tetramethyl-2-oxo-13-[(trimethylsilyl)methyl]-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13R,13aR,13bS)-8,13-Dihydroxy-6,9a,14,14-tetramethyl-2-oxo-13-[(trimethylsilyl)methyl]-5,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,9aS,10S,13R,13aR,13bS)-13-Hydroxy-6,9a,14,14-tetramethyl-2,8-dioxo-13-[(trimethylsilyl)methyl]-5,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate
Paclitaxel/Encequidar mesylate优化路线steps: 7total yield: /
(3aS,9aS,10S,13R,13aR,13bS)-13-Hydroxy-6,9a,14,14-tetramethyl-2,8-dioxo-13-[(trimethylsilyl)methyl]-5,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13aR,13bS)-8-(Benzyloxy)-6,9a,14,14-tetramethyl-2,13-dioxo-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13R,13aR,13bS)-8-(Benzyloxy)-13-hydroxy-6,9a,14,14-tetramethyl-2-oxo-13-[(trimethylsilyl)methyl]-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13R,13aR,13bS)-8,13-Dihydroxy-6,9a,14,14-tetramethyl-2-oxo-13-[(trimethylsilyl)methyl]-5,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-hydroxy-6,9a,14,14-tetramethyl-2-oxo-9,9a,10,11,12,13,13a,13b-octahydro-8H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,5R,6S,7S,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-5,6-bis[[(methylsulfanyl)carbonothioyl]oxy]-2-oxododecahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,5R,6S,7S,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-5,6-dihydroxy-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxododecahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,8R,9aS,10S,13S,13aS,13bS)-8-Hydroxy-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,8S,9aS,10S,13S,13aS,13bS)-8-(Benzyloxy)-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,8S,9aS,10S,13S,13aS,13bS)-8-Hydroxy-13-(methoxymethoxy)-6,9a,14,14-tetramethyl-2-oxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→(3aS,7S,9aS,10S,13S,13aS,13bS)-13-(Methoxymethoxy)-6,9a,14,14-tetramethyl-2,8-dioxo-7,8,9,9a,10,11,12,13,13a,13b-decahydro-4H-3a,7-methanobenzo[3,4]cyclodeca[1,2-d][1,3]dioxol-10-yl benzoate→Chloro[(trimethylsilyl)methyl]magnesium

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