(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one

Catalog No. :: ACKGSS408
CAS No. :: 54334-04-2
Molecular Formula :: C28H38O8
Molecular Weight :: 502.60

IUPAC Name:(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one

(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one structure diagram

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Product Name	(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one
IUPAC Name	(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one
MDL No.	MFCD01729182
Molecular Formula	C28H38O8
Molecular Weight	502.60
SMILES	CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
InChI Key	UPBUGICUKQIKTJ-KABTZXSUSA-N
Synonym	4beta-Hydroxywithanolide E;4β-Hydroxywithanolide E;Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,14,17,20,22-pentahydroxy-1-oxo-, δ-lactone, (4β,5β,6β,17α,22R)-;4β-HydroxywithanolideE;5β,6β-epoxy-4β,14,17α,20,22R-pentahydroxy-1-oxo-ergosta-2,24-dien-26-oic acid, ?-lactone
CAS No.	54334-04-2

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(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one

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1. ACKGSS408 Molecular Building Block Synthetic Route

2. ACKGSS408 Molecular Building Block Synthetic Route

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(4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one

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Phyperunolide E

(4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-4-hydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one

27-Methyl withaferin A

6-(1-hydroxy-1-(5,6,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3,4-dimethyl-5,6-dihydro-2H-pyran-2-one

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