(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide

Catalog No. :: ACENFA206
CAS No. :: 86303-23-3
Molecular Formula :: C42H75N3O15
Molecular Weight :: 862.07

IUPAC Name:(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide structure diagram

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Product Information

Product Name	(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide
IUPAC Name	(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide
Molecular Formula	C42H75N3O15
Molecular Weight	862.07
SMILES	C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI Key	OJSUWTDDXLCUFR-HGZMBBKESA-N
Synonym	DEOXY-BIGCHAP;BIG CHAP, DEOXY;N,N'-BIS(3-D-GLUCONAMIDOPROPYL)-DEOXY-CHOLAMIDE;N,N-BIS-(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE;N,N-BIS(3-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE;Deoxy-Bigchap(N,N-Bis[3-Glucoriamidopropyl]-Deoxycholamide;DeoxyBIGCHAP=BigCHAP,deoxy;(3a,5b,12a)-N,N-Bis[3-(D-gluconoylamino)propyl]-3,12-dihydroxycholan-24-amide
CAS No.	86303-23-3

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(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide

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Synthetic Route by SureRoute

1. ACENFA206 Molecular Building Block Synthetic Route

2. ACENFA206 Molecular Building Block Synthetic Route

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(2R,3S,4R,5R)-N-(3-((R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)pentanamido)propyl)-2,3,4,5,6-pentahydroxyhexanamide

Product Information

Synthetic Route by SureRoute

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(3-((R)-N-(3-((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanamido)propyl)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)propyl)hexanamide

(2R,2'R,3S,3'S,4R,4'R,5R,5'R)-N,N'-(Azanediylbis(propane-3,1-diyl))bis(2,3,4,5,6-pentahydroxyhexanamide)

(2R,3S,4R,5R)-N-Decyl-2,3,4,5,6-pentahydroxyhexanamide

(2R,3S,4R,5R)-N-Dodecyl-2,3,4,5,6-pentahydroxyhexanamide

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