11-Deoxocucurbitacin I

(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one

Also Known As: 11-Deoxocucurbitacin I|J2.767.157H|(8R,9R,10S,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,10,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one|(10alpha,23E)-2,16alpha,20,25-Tetrahydroxy-9beta-methyl-19-norlanosta-1,5,23-triene-3,22-dione|(1R,2R,3aS,3bR,9aS,9bR,11aR)-1-[(2R,4E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,8-dihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one|(4S,23E)-2,16alpha,20,25-Tetrahydroxy-9alpha,10,14-trimethyl-8beta-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,22-dione|(4S,9beta,16alpha,23E)-2,16,20,25-tetrahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-2,5,23-triene-1,22-dione

Molecular Formula	C30H44O6
Molecular Weight	500.31378 g/mol
LogP	4.4404
Topological Polar Surface Area	115.06 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	500.31378
Monoisotopic Mass	500.31378
Heavy Atoms	36
Complexity	1071.4875

Chemical Identifiers

CAS Number	98941-76-5
SMILES	C[C@@]12CC[C@@]3([C@H]([C@@H](C[C@]3([C@@H]1CC=C4[C@H]2C=C(C(=O)C4(C)C)O)C)O)[C@](C)(C(=O)/C=C/C(C)(C)O)O)C