Cucurbitacin O

(2R,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one

Also Known As: Cucurbitacin O|Presenegenin|Cucurbitacin F|(2R,3S,8S,9R,10R,13R,14S,16R,17R)-17-[(E,2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one|(2beta,3beta,4alpha)-2,3,27-Trihydroxyolean-12-ene-23,28-dioic acid|Olean-12-ene-23,28-dioic acid, 2,3,27-trihydroxy-, (2beta,3beta,4alpha)-|(10alpha)-2alpha,3alpha,16alpha,20,25-Pentahydroxy-9beta-methyl-19-norlanosta-5,23-diene-11,22-dione|(1R,2R,3aS,3bS,7S,8R,9aR,9bR,11aR)-1-[(2R)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,7,8-trihydroxy-3a,6,6,9b,11a-pentamethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-10-one|1,2,16,20,25-Pentahydroxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,23-diene-11,22-dione

Molecular Formula	C30H46O7
Molecular Weight	518.32434 g/mol
LogP	2.7203
Topological Polar Surface Area	135.29 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	518.32434
Monoisotopic Mass	518.32434
Heavy Atoms	37
Complexity	1048.6383

Chemical Identifiers

CAS Number	2163-40-8
SMILES	C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@H]([C@H](C4(C)C)O)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O