[(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(1S)-1-nitroethyl]-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-oxan-3-yl] ethanoate

Systemtic Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-10,13-dimethyl-17-[(1S)-1-nitroethyl]-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-oxan-3-yl] ethanoate Openeye Name: [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[(1S)-1-nitroethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-tetrahydropyran-3-yl] acetate CAS Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[(1S)-1-nitroethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-3-oxanyl] ester IUPAC Name: [(2S,3S,4R,5R,6S)-4,5-diacetyloxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[(1S)-1-nitroethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl] acetate Traditional Name: acetic acid [(2S,3S,4R,5R,6S)-4,5-diacetoxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[(1S)-1-nitroethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyl-tetrahydropyran-3-yl] ester Formula: C33H51NO11 MolecularWeight: 637.75814

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)[N+](=O)[O-])O)C)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5[C@H](C)[N+](=O)[O-])O)C)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C33H51NO11/c1-17(34(39)40)24-12-15-33(38)26-9-8-22-16-23(10-13-31(22,6)25(26)11-14-32(24,33)7)45-30-29(44-21(5)37)28(43-20(4)36)27(18(2)41-30)42-19(3)35/h17-18,22-30,38H,8-16H2,1-7H3/t17-,18-,22+,23-,24+,25-,26+,27-,28+,29+,30+,31-,32+,33-/m0/s1