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

Catalog No. :: ACEAWI526
CAS No. :: 76938-46-0
Molecular Formula :: C28H40O7
Molecular Weight :: 488.62

IUPAC Name:(3S,4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-3,4-dihydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one

(3S,4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-3,4-dihydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one structure diagram

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Product Name	(3S,4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-3,4-dihydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one
IUPAC Name	(3S,4S,4aR,5aR,6aS,6bS,9R,9aS,11aS,11bR)-3,4-dihydroxy-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one
Molecular Formula	C28H40O7
Molecular Weight	488.62
SMILES	CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](O)CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
InChI Key	WVMINIQLCDVTLH-IVFYTCICSA-N
Synonym	VISCOSALACTONEB;Ergost-24-en-26-oic acid, 5,6-epoxy-3,4,22,27-tetrahydroxy-1-oxo-, δ-lactone, (3β,4β,5β,6β,22R)-
CAS No.	76938-46-0

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ACEAWI52676938-46-0

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ACEAWI52676938-46-0

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

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1. ACEAWI526 Molecular Building Block Synthetic Route

2. ACEAWI526 Molecular Building Block Synthetic Route

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

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Synthetic Route by SureRoute

4-hydroxy-9-(1-(5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-3-methoxy-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one

4-hydroxy-9-(1-(5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyltetradecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(2H)-one

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

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