Strophanthidin 3,5-bis-p-benzoyl benzoate

[(3S,5S,8R,9S,10S,13R,17R)-5-(4-benzoylbenzoyl)oxy-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-benzoylbenzoate

Also Known As: Sid 768858|KST-1A6916|Strophanthidin 3,5-bis-p-benzoyl benzoate|[(3S,5S,8R,9S,10S,13R,17R)-5-(4-benzoylbenzoyl)oxy-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-benzoylbenzoate|(3|A,5|A,14xi)-3,5-bis[(4-benzoylbenzoyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide|Card-20(22)-enolide, 3,5-bis((4-benzoylbenzoyl)oxy)-14-hydroxy-19-oxo-, (3beta,5beta)-|3,5-Bis[(4-benzoylbenzoyl)oxy]-14-hydroxy-19-oxocard-20(22)-enolide|(14xi)-3beta,5-Bis[(4-benzoylbenzoyl)oxy]-14-hydroxy-19-oxo-5beta-card-20(22)-enolide

Molecular Formula	C51H48O10
Molecular Weight	820.32477 g/mol
LogP	7.2
Topological Polar Surface Area	150.0 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	12
Exact Mass	820.32477
Monoisotopic Mass	820.32477
Heavy Atoms	61
Complexity	1740.0

Chemical Identifiers

CAS Number	6340-30-3
SMILES	C[C@]12CC[C@H]3[C@H](C1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7)C=O)OC(=O)C8=CC=C(C=C8)C(=O)C9=CC=CC=C9
InChIKey	QMOUPVXLEAZWSV-XJVPNXMOSA-N