2-ethyl-3-[2-oxidanylidene-2-[6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethoxy]carbonyl-pentanoic acid

Systemtic Name: 2-ethyl-3-[2-oxidanylidene-2-[6,10,13-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethoxy]carbonyl-pentanoic acid Openeye Name: 3-[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethoxy]carbonyl-2-ethyl-pentanoic acid CAS Name: 3-[[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-oxomethyl]-2-ethylpentanoic acid IUPAC Name: 3-[2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]carbonyl-2-ethylpentanoic acid Traditional Name: 3-[2-(11,17-dihydroxy-3-keto-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-keto-ethoxy]carbonyl-2-ethyl-valeric acid Formula: C30H42O8 MolecularWeight: 530.64968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC)C(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)O)C(=O)O

Isomeric SMILES

CCC(C(CC)C(=O)OCC(=O)C1(CCC2C1(CC(C3C2CC(C4=CC(=O)C=CC34C)C)O)C)O)C(=O)O

InChI

InChI=1S/C30H42O8/c1-6-18(26(34)35)19(7-2)27(36)38-15-24(33)30(37)11-9-21-20-12-16(3)22-13-17(31)8-10-28(22,4)25(20)23(32)14-29(21,30)5/h8,10,13,16,18-21,23,25,32,37H,6-7,9,11-12,14-15H2,1-5H3,(H,34,35)