4-[[(3R,10R,13R,17R)-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(phenylmethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(3R,10R,13R,17R)-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(phenylmethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(3R,10R,13R,17R)-3-benzyl-17-[(1R)-1,5-dimethylhexyl]-4-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid CAS Name: 4-[[(3R,10R,13R,17R)-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-(phenylmethyl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[[(3R,10R,13R,17R)-3-benzyl-4-(hydroxymethyl)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid Traditional Name: 4-[[(3R,10R,13R,17R)-3-benzyl-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-4-methylol-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-keto-butyric acid Formula: C39H60O5 MolecularWeight: 608.8907

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4CO)(CC5=CC=CC=C5)OC(=O)CCC(=O)O)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@](C4CO)(CC5=CC=CC=C5)OC(=O)CCC(=O)O)C)C

InChI

InChI=1S/C39H60O5/c1-26(2)10-9-11-27(3)30-16-17-31-29-14-15-33-34(25-40)39(24-28-12-7-6-8-13-28,44-36(43)19-18-35(41)42)23-22-38(33,5)32(29)20-21-37(30,31)4/h6-8,12-13,26-27,29-34,40H,9-11,14-25H2,1-5H3,(H,41,42)/t27-,29?,30-,31?,32?,33?,34?,37-,38-,39-/m1/s1