Diacetyl-2,16 cucurbitacine (E)

[(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl] acetate

Also Known As: Diacetyl-2,16 cucurbitacine (E)|Diacetyl-2,16 cucurbitacine E|3-08-00-04378 (Beilstein Handbook Reference)|19-Nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16-alpha,20,25-tetrahydroxy-, 2,16-alpha,25-triacetate|(10alpha,23E)-2,16alpha,25-Triacetoxy-20-hydroxy-9beta-methyl-19-norlanosta-1,5,23-triene-3,11,22-trione|(3E,6R)-6-[(1R,2R,3aS,3bS,9aR,9bR,11aR)-2,8-bis(acetyloxy)-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetate|[(8S,9R,10R,13R,14S,16R,17R)-2-acetyloxy-17-[(E,2R)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7H-cyclopenta[a]phenanthren-16-yl] acetate|19-Norlanosta-1,5,23-triene-3,11,22-trione, 2,16,25-tris(acetyloxy)-20-hydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23E)-

Molecular Formula	C36H48O10
Molecular Weight	640.32477 g/mol
LogP	4.7661
Topological Polar Surface Area	150.34 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	7
Exact Mass	640.32477
Monoisotopic Mass	640.32477
Heavy Atoms	46
Complexity	1491.1075

Chemical Identifiers

CAS Number	26321-61-9
SMILES	CC(=O)O[C@@H]1C[C@]2([C@@H]3CC=C4[C@H]([C@@]3(C(=O)C[C@@]2([C@H]1[C@](C)(C(=O)/C=C/C(C)(C)OC(=O)C)O)C)C)C=C(C(=O)C4(C)C)OC(=O)C)C