[(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-oxidanyl-oxolan-3-yl]-4,4,8,10,13-pentamethyl-11-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ethanoate

Systemtic Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-oxidanyl-oxolan-3-yl]-4,4,8,10,13-pentamethyl-11-oxidanyl-3-oxidanylidene-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ethanoate Openeye Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-11-hydroxy-17-[(2S,3R,5S)-2-hydroxy-5-sec-butyl-tetrahydrofuran-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate CAS Name: acetic acid [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-hydroxy-3-oxolanyl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester IUPAC Name: [(5R,7R,8R,9R,10S,11R,13S,17S)-17-[(2S,3R,5S)-5-butan-2-yl-2-hydroxyoxolan-3-yl]-11-hydroxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate Traditional Name: acetic acid [(5R,7R,8R,9R,10S,11R,13S,17S)-11-hydroxy-17-[(2S,3R,5S)-2-hydroxy-5-sec-butyl-tetrahydrofuran-3-yl]-3-keto-4,4,8,10,13-pentamethyl-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] ester Formula: C32H48O6 MolecularWeight: 528.71992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CC(C(O1)O)C2CC=C3C2(CC(C4C3(C(CC5C4(C=CC(=O)C5(C)C)C)OC(=O)C)C)O)C

Isomeric SMILES

CCC(C)[C@@H]1C[C@@H]([C@H](O1)O)[C@@H]2CC=C3[C@]2(C[C@H]([C@H]4[C@]3([C@@H](C[C@@H]5[C@@]4(C=CC(=O)C5(C)C)C)OC(=O)C)C)O)C

InChI

InChI=1S/C32H48O6/c1-9-17(2)22-14-19(28(36)38-22)20-10-11-23-31(20,7)16-21(34)27-30(6)13-12-25(35)29(4,5)24(30)15-26(32(23,27)8)37-18(3)33/h11-13,17,19-22,24,26-28,34,36H,9-10,14-16H2,1-8H3/t17?,19-,20+,21-,22+,24+,26-,27-,28+,30+,31+,32-/m1/s1