methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis[2-(7-oxidanylnaphthalen-2-yl)oxyethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Systemtic Name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis[2-(7-oxidanylnaphthalen-2-yl)oxyethanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Openeye Name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[[2-[(7-hydroxy-2-naphthyl)oxy]acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[2-[(7-hydroxy-2-naphthalenyl)oxy]-1-oxoethoxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester IUPAC Name: methyl (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[[2-(7-hydroxynaphthalen-2-yl)oxyacetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate Traditional Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-bis[[2-(7-hydroxy-2-naphthoxy)acetyl]oxy]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester Formula: C49H58O10 MolecularWeight: 806.97882

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)COC5=CC6=C(C=CC(=C6)O)C=C5)C)OC(=O)COC7=CC8=C(C=CC(=C8)O)C=C7)C

Isomeric SMILES

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC(=O)COC5=CC6=C(C=CC(=C6)O)C=C5)C)OC(=O)COC7=CC8=C(C=CC(=C8)O)C=C7)C

InChI

InChI=1S/C49H58O10/c1-29(5-18-45(52)55-4)41-16-17-42-40-15-10-34-25-39(58-46(53)27-56-37-13-8-30-6-11-35(50)21-32(30)23-37)19-20-48(34,2)43(40)26-44(49(41,42)3)59-47(54)28-57-38-14-9-31-7-12-36(51)22-33(31)24-38/h6-9,11-14,21-24,29,34,39-44,50-51H,5,10,15-20,25-28H2,1-4H3/t29-,34-,39-,40+,41-,42+,43+,44+,48+,49-/m1/s1