(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

Catalog No. :: ACHGDH441
CAS No. :: 245323-24-4
Molecular Formula :: C31H50O7
Molecular Weight :: 534.73

IUPAC Name:(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one structure diagram

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Product Name	(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
IUPAC Name	(2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
MDL No.	MFCD28385974
Molecular Formula	C31H50O7
Molecular Weight	534.73
SMILES	C[C@H](C[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CCC2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
InChI Key	PJIPVDOBTYKPCE-MFFKULRWSA-N
Synonym	(2beta,3beta,5beta,22R,24R)-2,3,14,25-Tetrahydroxy-20,22-[(1-methylethylidene)bis(oxy)]-ergost-7-en-6-one;Makisterone A 20,22-monoacetonide;Ergost-7-en-6-one, 2,3,14,25-tetrahydroxy-20,22-[(1-methylethylidene)bis(oxy)]-, (2β,3β,5β,22R,24R)- (9CI)
CAS No.	245323-24-4

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ACHGDH441245323-24-4

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ACHGDH441245323-24-4

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(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

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1. ACHGDH441 Molecular Building Block Synthetic Route

2. ACHGDH441 Molecular Building Block Synthetic Route

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(2S,3R,5R,9R,10R,13R,17S)-2,3,14-Trihydroxy-17-((4R,5R)-5-((R)-3-hydroxy-2,3-dimethylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

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Synthetic Route by SureRoute

2,3,14-trihydroxy-17-(5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

(1S,3aS,5aR,6aR,9aS,10aR,10bR,12aR)-3a-hydroxy-1-((4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-8,8,10a,12a-tetramethyl-1,2,3,3a,5a,6,6a,9a,10,10a,10b,11,12,12a-tetradecahydro-5H-cyclopenta[7,8]phenanthro[2,3-d][1,3]dioxol-5-one

(2S,3R,5S,9R,10R,13R,14S,17S)-2,3,5,14-tetrahydroxy-17-((4R,5R)-5-(3-hydroxy-3-methylbutyl)-2,2,4-trimethyl-1,3-dioxolan-4-yl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

(2S,3R,5R,9R,10R,13R,14S,17S)-17-((1R,2R)-1-((2R,3S,4S)-3,4-dimethyltetrahydrofuran-2-yl)-1,2-dihydroxypropan-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

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