2-[2-methyl-1,2-bis(oxidanyl)propyl]-4-[(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-7-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Systemtic Name: 2-[2-methyl-1,2-bis(oxidanyl)propyl]-4-[(5R,7R,8R,9R,10R,13S,17R)-4,4,8,10,13-pentamethyl-7-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Openeye Name: 2-(1,2-dihydroxy-2-methyl-propyl)-4-[(5R,7R,8R,9R,10R,13S,17R)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one CAS Name: 2-(1,2-dihydroxy-2-methylpropyl)-4-[(5R,7R,8R,9R,10R,13S,17R)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one IUPAC Name: 2-(1,2-dihydroxy-2-methylpropyl)-4-[(5R,7R,8R,9R,10R,13S,17R)-7-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Traditional Name: 2-(1,2-dihydroxy-2-methyl-propyl)-4-[(5R,7R,8R,9R,10R,13S,17R)-7-hydroxy-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Formula: C30H42O6 MolecularWeight: 498.65088

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CC(C3(C(C2(C=CC1=O)C)CCC4(C3=CCC4C5=CC(OC5=O)C(C(C)(C)O)O)C)C)O)C

Isomeric SMILES

C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)C([C@@H]4C[C@H]([C@]3(C1=CC[C@H]2C5=CC(OC5=O)C(C(C)(C)O)O)C)O)(C)C)C

InChI

InChI=1S/C30H42O6/c1-26(2)21-15-23(32)30(7)19-9-8-17(16-14-18(36-25(16)34)24(33)27(3,4)35)28(19,5)12-10-20(30)29(21,6)13-11-22(26)31/h9,11,13-14,17-18,20-21,23-24,32-33,35H,8,10,12,15H2,1-7H3/t17-,18?,20+,21-,23+,24?,28-,29+,30-/m0/s1