(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one

Catalog No. :: ACMETB530
CAS No. :: 98570-81-1
Molecular Formula :: C30H42O10
Molecular Weight :: 562.66

IUPAC Name:(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one

(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one structure diagram

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Product Name	(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one
IUPAC Name	(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one
Molecular Formula	C30H42O10
Molecular Weight	562.66
SMILES	CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@@H](C2)C[C@@H]2O[C@]24[C@@H]3[C@H](O)C(=O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]42O)O[C@@H](C)[C@@H]1O
InChI Key	HGZQTHMHTBGLMG-TZUBOXRBSA-N
Synonym	7β,8-epoxy-11α,14-dihydroxy-3β-(O3-methyl-β-D-lyxo-2,6-dideoxy-hexopyranosyloxy)-12-oxo-5β,14β-card-20(22)-enolide;Cryptanoside A;Card-20(22)-enolide, 3-[(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)oxy]-7,8-epoxy-11,14-dihydroxy-12-oxo-, (3β,5β,7β,11α)- (9CI)
CAS No.	98570-81-1

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ACMETB53098570-81-1

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ACMETB53098570-81-1

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(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one

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1. ACMETB530 Molecular Building Block Synthetic Route

2. ACMETB530 Molecular Building Block Synthetic Route

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(1R,3aR,3bR,4aS,5aS,7S,9aS,9bS,10S,11aR)-3a,10-dihydroxy-7-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)tetradecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-11(1H)-one

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Synthetic Route by SureRoute

4-((1R,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one

4-((1S,3aR,3bR,4aS,5aS,7S,9aS,9bR,11aR)-7-(((2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-3a-hydroxy-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one

4-(3a-hydroxy-7-((3-hydroxy-4-methoxy-6-methyl-5-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-9a,11a-dimethylhexadecahydrocyclopenta[7,8]phenanthro[8a,9-b]oxiren-1-yl)furan-2(5H)-one

4-((1R,3aR,4aS,6aR,8S,10aS,10bR,12aR)-8-(((2R,4R,5S,6R)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-1-yl)furan-2(5H)-one

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