Nom de l'analyte

5-Oxo-2,5-dihydrofuran-3-yl 12beta-Acetyldigoxin

Formule moléculaire

C44H64O16

Poids moléculaire

848.98

Masse précise

848.42

SMILES

[H][C@@]1([C@]23O)CC[C@]4([H])C[C@@H](O[C@@H]5O[C@H](C)[C@@H](O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7O[C@H](C)[C@@H](OC(O8)=O)[C@@H]8C7)[C@@H](O)C6)[C@@H](O)C5)CC[C@]4(C)[C@@]1([H])C[C@@H](OC(C)=O)[C@@]2([C@@H](C9=CC(OC9)=O)CC3)C

InChI

InChI=1S/C44H64O16/c1-20-38(58-36-17-31(47)39(21(2)53-36)59-37-18-32-40(22(3)54-37)60-41(49)57-32)30(46)16-35(52-20)56-26-9-11-42(5)25(14-26)7-8-28-29(42)15-33(55-23(4)45)43(6)27(10-12-44(28,43)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,46-47,50H,7-12,14-19H2,1-6H3/t20?,21?,22?,25-,26+,27-,28-,29+,30+,31+,32+,33?,35+,36+,37+,38-,39-,40-,42?,43?,44+/m1/s1

IUPAC

(3S,5R,8R,9S,10S,12R,13S,14S,17R)-14-hydroxy-3-(((2R,4S,5S,6R)-4-hydroxy-5-(((2S,4S,5S,6R)-4-hydroxy-6-methyl-5-(((3aR,4R,6S,7aS)-4-methyl-2-oxotetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethyl-17-(5-oxo-2,5-dihydrofuran-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-12-yl acetate

Température d'expédition

Room Temperature

Pays d'origine

CANADA

Présentation du produit

Neat