Paludosin

Catalog Number	ACM34137241
CAS Number	34137-24-1
Structure
Synonyms	4-(β-D-Glucopyranosyloxy)-3,5-bis(3-methyl-2-butenyl)benzoic acid [(4S,5β)-1-azabicyclo[3.3.0]octan-4-yl]methyl ester
Molecular Weight	559.7
InChI	InChI=1S/C31H45NO8/c1-18(2)7-9-20-14-23(30(37)38-17-22-11-13-32-12-5-6-24(22)32)15-21(10-8-19(3)4)29(20)40-31-28(36)27(35)26(34)25(16-33)39-31/h7-8,14-15,22,24-28,31,33-36H,5-6,9-13,16-17H2,1-4H3/t22,24-,25-,26-,27+,28-,31-/m1/s1
InChI Key	FQXZITIIHQHGBC-MOVKRCFWSA-N
Purity	95%+
Complexity	870
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	559.31451739
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isomeric SMILES	CC(=CCC1=CC(=CC(=C1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC=C(C)C)C(=O)OCC3CCN4[C@@H]3CCC4)C
Monoisotopic Mass	559.31451739
PhysicalState	Powder
Rotatable Bond Count	11
Topological Polar Surface Area	129 Ų

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