Neriifolin-diacetat [German]

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

CAS: 101418-21-7

Molecular Formula	`C34H50O10`
Molecular Weight	618.8 g/mol
LogP	3.2
Topological Polar Surface Area	127.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	618.3404
Heavy Atoms	44
Complexity	1180.0

Chemical Identifiers

CAS Number	101418-21-7
SMILES	`CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)OC(=O)C)C)C)O)OC)OC(=O)C`
InChIKey	`HCDHBGAWZMUQSN-DVPCZNHPSA-N`

📖 Product Overview

Neriifolin-diacetat [German] (CAS: 101418-21-7) is a chemical compound with molecular formula C34H50O10 and molecular weight 618.8 g/mol. Its IUPAC systematic name is [(3R,6R)-6-[[(3S,5R,10S,13R,14S,17R)-14-acetyloxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-5-hydroxy-4-methoxy-2-methyloxan-3-yl] acetate. LogP 3.2 Topological Polar Surface Area 127.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 10 Rotatable Bonds 8 Exact Mass 618.3404 Heavy Atoms 44 Complexity 1180.0 InChI Key: HCDHBGAWZMUQSN-DVPCZNHPSA-N. SMILES: CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)OC(=O)C)C)C)O)OC)OC(=O)C.

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