4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]pentanoic acid

Systemtic Name: 4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]pentanoic acid Openeye Name: 4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]pentanoic acid CAS Name: 4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]yl]pentanoic acid IUPAC Name: 4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]pentanoic acid Traditional Name: 4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethylspiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-yl]valeric acid Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)OCCO5)C)C

Isomeric SMILES

CC(CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC5(C4)OCCO5)C)C

InChI

InChI=1S/C26H42O4/c1-17(4-9-23(27)28)20-7-8-21-19-6-5-18-16-26(29-14-15-30-26)13-12-24(18,2)22(19)10-11-25(20,21)3/h17-22H,4-16H2,1-3H3,(H,27,28)/t17?,18-,19+,20-,21+,22+,24+,25-/m1/s1