gitoxin 16β-acetate

Modify Date: 2024-01-06 16:19:53

gitoxin 16β-acetate Structure
gitoxin 16β-acetate structure
Common Name gitoxin 16β-acetate
CAS Number 29362-48-9 Molecular Weight 822.97500
Density N/A Boiling Point N/A
Molecular Formula C43H66O15 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name gitoxin 16β-acetate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C43H66O15
Molecular Weight 822.97500
Exact Mass 822.44000
PSA 209.13000
LogP 2.78890
InChIKey SZHBGTRKQDNXNC-RIYHBKJUSA-N
SMILES CC(=O)OC1CC2(O)C3CCC4CC(OC5CC(OC6CC(O)C(O)C(C)O6)C(OC6CC(O)C(O)C(C)O6)C(C)O5)CCC4(C)C3CCC2(C)C1C1=CC(=O)OC1

 Synonyms

gitoxin 16-acetate
16-acetyl-gitoxin
16-acetylgitoxin
16-Acetyl-gitoxin
[(3S,5R,8R,9S,10S,13R,16R,17R)-3-[(2S,4S,5R,6R)-4,5-bis[[(2R,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy]-6-methyloxan-2-yl]oxy-14-hydroxy-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-16-yl] acetate
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