Aminopocannoside

(3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

CAS: 3751-87-9

Molecular Formula	`C30H44O8`
Molecular Weight	532.7 g/mol
LogP	1.7
Topological Polar Surface Area	112.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	532.3036
Heavy Atoms	38
Complexity	981.0

Chemical Identifiers

CAS Number	3751-87-9
SMILES	`CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O`
InChIKey	`BVEFMGIAGANFEG-UKTRRACZSA-N`

📖 Product Overview

Aminopocannoside (CAS: 3751-87-9) is a chemical compound with molecular formula C30H44O8 and molecular weight 532.7 g/mol. Its IUPAC systematic name is (3S,5R,10R,13R,14S,17R)-14-hydroxy-3-[(2R,5R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde. LogP 1.7 Topological Polar Surface Area 112.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 532.3036 Heavy Atoms 38 Complexity 981.0 InChI Key: BVEFMGIAGANFEG-UKTRRACZSA-N. SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)OC)O.

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