(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate

Catalog No. :: ACNBLW689
CAS No. :: 201731-19-3
Molecular Formula :: C39H58N4O5
Molecular Weight :: 662.92

IUPAC Name:(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate

(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate structure diagram

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Product Information

Product Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate
IUPAC Name	(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate
Molecular Formula	C39H58N4O5
Molecular Weight	662.92
SMILES	CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCNC5=CC=C([N+](=O)[O-])C6=NON=C56)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key	YZAQIPGLFHPDPI-FIWRCADXSA-N
CAS No.	201731-19-3

Synthetic Route by SureRoute

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ACNBLW689201731-19-3

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ACNBLW689201731-19-3

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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate

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Synthetic Route by SureRoute

1. ACNBLW689 Molecular Building Block Synthetic Route

2. ACNBLW689 Molecular Building Block Synthetic Route

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(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoate

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Synthetic Route by SureRoute

3-NBD-C12 Cholesterol

(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-((S)-1-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)propan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol

1-NBD-decanoyl-2-decanoyl-sn-glycerol

N,N,N-Trimethyl-2-((6-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)hexanoyl)oxy)-3-(oleoyloxy)propan-1-aminium chloride

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