4-oxidanylidene-4-[[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-oxidanyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]butanoic acid Openeye Name: 4-[[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(3S,8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid Formula: C24H36O5 MolecularWeight: 404.53964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C)O)C)OC(=O)CCC(=O)O

Isomeric SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C)O)C)OC(=O)CCC(=O)O

InChI

InChI=1S/C24H36O5/c1-22-11-8-16(29-21(27)7-6-20(25)26)14-15(22)4-5-17-18(22)9-12-23(2)19(17)10-13-24(23,3)28/h4,16-19,28H,5-14H2,1-3H3,(H,25,26)/t16-,17+,18-,19-,22-,23-,24-/m0/s1