[3-(nitrooxymethyl)phenyl]methyl (3R,5R)-7-[(1S,2S,6S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoate

Systemtic Name: [3-(nitrooxymethyl)phenyl]methyl (3R,5R)-7-[(1S,2S,6S,8S,8aR)-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-6-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis(oxidanyl)heptanoate Openeye Name: [3-(nitrooxymethyl)phenyl]methyl (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoate CAS Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid [3-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [3-(nitrooxymethyl)phenyl]methyl (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate Traditional Name: (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxy-enanthic acid [3-(nitrooxymethyl)benzyl] ester Formula: C31H43NO10 MolecularWeight: 589.67382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)OCC3=CC(=CC=C3)CO[N+](=O)[O-])O)O)O

Isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC3=CC(=CC=C3)CO[N+](=O)[O-])O)O)O

InChI

InChI=1S/C31H43NO10/c1-4-19(2)31(37)42-28-15-25(34)13-23-9-8-20(3)27(30(23)28)11-10-24(33)14-26(35)16-29(36)40-17-21-6-5-7-22(12-21)18-41-32(38)39/h5-9,12-13,19-20,24-28,30,33-35H,4,10-11,14-18H2,1-3H3/t19-,20-,24+,25+,26+,27-,28-,30-/m0/s1