[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate

C168H207F10N9O75 — CID 159205402

IUPAC[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate
SMILESCOc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)OCC(=O)[C@@]1(OC(=O)CCCO[N+](=O)[O-])[C@H](O)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)COC(=O)CCCCCO[N+](=O)[O-])[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)COC(=O)CCCO[N+](=O)[O-])[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCO[N+](=O)[O-])(C(=O)COC(=O)Oc4cc(C(=O)OCCCCO[N+](=O)[O-])cc(O)c4O)[C@@]3(C)C[C@H](O)[C@@]12F
InChIInChI=1S/C40H46F2N2O18.C37H42F2N2O19.C33H44F2N2O14.C31H40F2N2O14.C27H35F2NO10/c1-37-13-12-24(45)18-27(37)28(41)19-26-25-20-31(46)40(38(25,2)21-32(47)39(26,37)42,62-35(50)7-6-16-60-44(54)55)33(48)22-58-36(51)61-29-10-8-23(17-30(29)56-3)9-11-34(49)57-14-4-5-15-59-43(52)53;1-34-8-7-20(42)14-23(34)24(38)15-22-21-16-27(44)37(35(21,2)17-28(45)36(22,34)39,60-30(47)6-5-11-58-41(53)54)29(46)18-56-33(50)59-26-13-19(12-25(43)31(26)48)32(49)55-9-3-4-10-57-40(51)52;1-30-12-11-20(38)15-23(30)24(34)16-22-21-17-25(39)33(31(21,2)18-26(40)32(22,30)35,51-29(43)10-6-4-8-14-50-37(46)47)27(41)19-48-28(42)9-5-3-7-13-49-36(44)45;1-28-10-9-18(36)13-21(28)22(32)14-20-19-15-23(37)31(29(19,2)16-24(38)30(20,28)33,49-27(41)7-4-3-5-11-47-34(42)43)25(39)17-46-26(40)8-6-12-48-35(44)45;1-24-8-7-15(32)10-18(24)19(28)11-17-16-12-20(33)27(22(35)14-31,25(16,2)13-21(34)26(17,24)29)40-23(36)6-4-3-5-9-39-30(37)38/h8-13,17-18,25-26,28,31-32,46-47H,4-7,14-16,19-22H2,1-3H3;7-8,12-14,21-22,24,27-28,43-45,48H,3-6,9-11,15-18H2,1-2H3;11-12,15,21-22,24-26,39-40H,3-10,13-14,16-19H2,1-2H3;9-10,13,19-20,22-24,37-38H,3-8,11-12,14-17H2,1-2H3;7-8,10,16-17,19-21,31,33-34H,3-6,9,11-14H2,1-2H3/b11-9+;;;;/t25?,26?,28-,31+,32-,37-,38-,39-,40-;21?,22?,24-,27+,28-,34-,35-,36-,37-;21?,22?,24-,25+,26-,30-,31-,32-,33-;19?,20?,22-,23+,24-,28-,29-,30-,31-;16?,17?,19-,20+,21-,24-,25-,26-,27-/m00000/s1
InChIKeyKPUWOELCDZDVDY-HDLXGUPSSA-N
MW3742.47 g/mol
LogP14.30
Rot. Bonds80

About [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate

[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate (PubChem CID 159205402) has the molecular formula C168H207F10N9O75 and a molecular weight of 3742.47 g/mol. Its IUPAC name is [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate.

Molecular Properties

Compound Name[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate
PubChem CID159205402
Molecular FormulaC168H207F10N9O75
Molecular Weight3742.47 g/mol
Exact Mass3740.25
IUPAC Name[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate
SMILESCOc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)OCC(=O)[C@@]1(OC(=O)CCCO[N+](=O)[O-])[C@H](O)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)COC(=O)CCCCCO[N+](=O)[O-])[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)COC(=O)CCCO[N+](=O)[O-])[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCO[N+](=O)[O-])(C(=O)COC(=O)Oc4cc(C(=O)OCCCCO[N+](=O)[O-])cc(O)c4O)[C@@]3(C)C[C@H](O)[C@@]12F
InChIInChI=1S/C40H46F2N2O18.C37H42F2N2O19.C33H44F2N2O14.C31H40F2N2O14.C27H35F2NO10/c1-37-13-12-24(45)18-27(37)28(41)19-26-25-20-31(46)40(38(25,2)21-32(47)39(26,37)42,62-35(50)7-6-16-60-44(54)55)33(48)22-58-36(51)61-29-10-8-23(17-30(29)56-3)9-11-34(49)57-14-4-5-15-59-43(52)53;1-34-8-7-20(42)14-23(34)24(38)15-22-21-16-27(44)37(35(21,2)17-28(45)36(22,34)39,60-30(47)6-5-11-58-41(53)54)29(46)18-56-33(50)59-26-13-19(12-25(43)31(26)48)32(49)55-9-3-4-10-57-40(51)52;1-30-12-11-20(38)15-23(30)24(34)16-22-21-17-25(39)33(31(21,2)18-26(40)32(22,30)35,51-29(43)10-6-4-8-14-50-37(46)47)27(41)19-48-28(42)9-5-3-7-13-49-36(44)45;1-28-10-9-18(36)13-21(28)22(32)14-20-19-15-23(37)31(29(19,2)16-24(38)30(20,28)33,49-27(41)7-4-3-5-11-47-34(42)43)25(39)17-46-26(40)8-6-12-48-35(44)45;1-24-8-7-15(32)10-18(24)19(28)11-17-16-12-20(33)27(22(35)14-31,25(16,2)13-21(34)26(17,24)29)40-23(36)6-4-3-5-9-39-30(37)38/h8-13,17-18,25-26,28,31-32,46-47H,4-7,14-16,19-22H2,1-3H3;7-8,12-14,21-22,24,27-28,43-45,48H,3-6,9-11,15-18H2,1-2H3;11-12,15,21-22,24-26,39-40H,3-10,13-14,16-19H2,1-2H3;9-10,13,19-20,22-24,37-38H,3-8,11-12,14-17H2,1-2H3;7-8,10,16-17,19-21,31,33-34H,3-6,9,11-14H2,1-2H3/b11-9+;;;;/t25?,26?,28-,31+,32-,37-,38-,39-,40-;21?,22?,24-,27+,28-,34-,35-,36-,37-;21?,22?,24-,25+,26-,30-,31-,32-,33-;19?,20?,22-,23+,24-,28-,29-,30-,31-;16?,17?,19-,20+,21-,24-,25-,26-,27-/m00000/s1
InChIKeyKPUWOELCDZDVDY-HDLXGUPSSA-N
XLogP14.30
TPSA1222.01 Ų
H-Bond Donors13
H-Bond Acceptors75
Rotatable Bonds80
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003742.47
LogP ≤ 514.30
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1075

Analyze [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate with MolForge

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Related Compounds

6-nitrooxyhexyl 4-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-3-methoxybenzoate
CID 44633354
[(6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;[2-[(6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-nitrooxybutanoate;5,6-dinitrooxyhexyl 4-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-3-methoxybenzoate;[(9R,10S,11S,13S,16R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(9R,10S,11S,13S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;4-nitrooxybutyl 3-[2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate
CID 160960359
[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutoxycarbonyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate
CID 44633020
[(9R,10S,11S,13S,16R,17S)-17-[2-[4-[(2S)-2-acetamido-3-(4-nitrooxybutoxy)-3-oxopropyl]phenoxy]carbonyloxyacetyl]-9-fluoro-11,16-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;[(9R,10S,11S,13S,16S,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-17-[2-[2-methyl-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(9R,10S,11S,13S,16R,17S)-9-fluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 4-nitrooxybutanoate;[(9R,10S,11S,13S,16R,17S)-9-fluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 4-[2-[(9R,10S,11S,13S,16R,17S)-9-fluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-3-methoxybenzoate
CID 123360942
5,6-dinitrooxyhexyl 4-[2-[(9R,10S,11S,13S,16R,17S)-9-fluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-3-methoxybenzoate
CID 44632642
4-nitrooxybutyl 4-[2-[(6S,9R,16R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-3-methoxybenzoate
CID 143936625
4-nitrooxybutyl 3-[4-[[2-[2-[(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-10,13-dimethyl-3-oxo-4,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-2-oxoethyl]carbamoyloxy]-3-methoxyphenyl]prop-2-enoate
CID 91001001
[(9R,10S,11S,13S,16R,17S)-9-fluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutoxycarbonyloxy)acetyl]-3-oxo-4,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate
CID 123927282
4-nitrooxybutyl 7-[2-[(4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyloxy-2-(4-methoxyphenyl)-1,3-benzodioxole-5-carboxylate
CID 58302910
[(9R,11S,13S,17R)-9-chloro-17-[2-[4-[(E)-3-[4-(dihydroxyamino)oxybutoxy]-3-oxoprop-1-enyl]-2-methoxyphenoxy]carbonyloxyacetyl]-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-(dihydroxyamino)oxybutanoate
CID 89103558
4-O-[2-[(6S,9R,10S,11S,13S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 1-O-(2,3-dinitrooxypropyl) 2-aminobutanedioate
CID 44634444
4-nitrooxybutyl 4-[2-[(2S,4R,8S,9S,11S,12R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyloxy-3-methoxybenzoate
CID 59801806

Frequently Asked Questions

What is the IUPAC name of [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate?
The IUPAC name of [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate (CID 159205402) is [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate.
What is the SMILES notation for [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate?
The canonical SMILES for [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate is COc1cc(/C=C/C(=O)OCCCCO[N+](=O)[O-])ccc1OC(=O)OCC(=O)[C@@]1(OC(=O)CCCO[N+](=O)[O-])[C@H](O)CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)COC(=O)CCCCCO[N+](=O)[O-])[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCCCO[N+](=O)[O-])(C(=O)COC(=O)CCCO[N+](=O)[O-])[C@@]3(C)C[C@H](O)[C@@]12F.C[C@]12C=CC(=O)C=C1[C@@H](F)CC1C3C[C@@H](O)[C@](OC(=O)CCCO[N+](=O)[O-])(C(=O)COC(=O)Oc4cc(C(=O)OCCCCO[N+](=O)[O-])cc(O)c4O)[C@@]3(C)C[C@H](O)[C@@]12F.
What is the InChIKey of [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate?
The InChIKey is KPUWOELCDZDVDY-HDLXGUPSSA-N. The full InChI is InChI=1S/C40H46F2N2O18.C37H42F2N2O19.C33H44F2N2O14.C31H40F2N2O14.C27H35F2NO10/c1-37-13-12-24(45)18-27(37)28(41)19-26-25-20-31(46)40(38(25,2)21-32(47)39(26,37)42,62-35(50)7-6-16-60-44(54)55)33(48)22-58-36(51)61-29-10-8-23(17-30(29)56-3)9-11-34(49)57-14-4-5-15-59-43(52)53;1-34-8-7-20(42)14-23(34)24(38)15-22-21-16-27(44)37(35(21,2)17-28(45)36(22,34)39,60-30(47)6-5-11-58-41(53)54)29(46)18-56-33(50)59-26-13-19(12-25(43)31(26)48)32(49)55-9-3-4-10-57-40(51)52;1-30-12-11-20(38)15-23(30)24(34)16-22-21-17-25(39)33(31(21,2)18-26(40)32(22,30)35,51-29(43)10-6-4-8-14-50-37(46)47)27(41)19-48-28(42)9-5-3-7-13-49-36(44)45;1-28-10-9-18(36)13-21(28)22(32)14-20-19-15-23(37)31(29(19,2)16-24(38)30(20,28)33,49-27(41)7-4-3-5-11-47-34(42)43)25(39)17-46-26(40)8-6-12-48-35(44)45;1-24-8-7-15(32)10-18(24)19(28)11-17-16-12-20(33)27(22(35)14-31,25(16,2)13-21(34)26(17,24)29)40-23(36)6-4-3-5-9-39-30(37)38/h8-13,17-18,25-26,28,31-32,46-47H,4-7,14-16,19-22H2,1-3H3;7-8,12-14,21-22,24,27-28,43-45,48H,3-6,9-11,15-18H2,1-2H3;11-12,15,21-22,24-26,39-40H,3-10,13-14,16-19H2,1-2H3;9-10,13,19-20,22-24,37-38H,3-8,11-12,14-17H2,1-2H3;7-8,10,16-17,19-21,31,33-34H,3-6,9,11-14H2,1-2H3/b11-9+;;;;/t25?,26?,28-,31+,32-,37-,38-,39-,40-;21?,22?,24-,27+,28-,34-,35-,36-,37-;21?,22?,24-,25+,26-,30-,31-,32-,33-;19?,20?,22-,23+,24-,28-,29-,30-,31-;16?,17?,19-,20+,21-,24-,25-,26-,27-/m00000/s1.
What are the key properties of [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate?
[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate has a molecular weight of 3742.47 g/mol, XLogP of 14.30, 80 rotatable bonds, 13 hydrogen bond donors, and 75 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-[2-(4-nitrooxybutanoyloxy)acetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(6-nitrooxyhexanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 6-nitrooxyhexanoate;[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-17-[2-[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenoxy]carbonyloxyacetyl]-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate;4-nitrooxybutyl 3-[2-[(6S,9R,10S,11S,13S,16R,17S)-6,9-difluoro-11,16-dihydroxy-10,13-dimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]carbonyloxy-4,5-dihydroxybenzoate is sourced from PubChem (CID 159205402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).