About [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane
[(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane (PubChem CID 159777655) has the molecular formula C119H175O34P21
and a molecular weight of 2800.13 g/mol. Its IUPAC name is [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane.
Frequently Asked Questions
What is the IUPAC name of [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane?
The IUPAC name of [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane (CID 159777655) is [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane.
What is the SMILES notation for [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane?
The canonical SMILES for [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane is C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)C(O)CC([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](OP(P(P)P)P(P)P)[C@@]1(C)C(=O)[C@H](C)C3=C(C)C(O)CC([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](OP(P(P)P)P(P)P)[C@@]1(C)C(=O)[C@H](O)C3=C(C)C(O)CC([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.CC(=O)O[C@@]12CO[C@@H]1C[C@H](OP(P(P)P)P(P)P)[C@@]1(C)[C@H](O)[C@H](C)C3=C(C)C(O)CC([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C.
What is the InChIKey of [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane?
The InChIKey is NGYKOHDYPPWUMC-YELCUFFPSA-N. The full InChI is InChI=1S/C30H47O8P7.C30H45O8P7.C29H43O9P7.C29H36O9.CH4/c2*1-15-20(32)12-19-24(36-27(34)18-10-8-7-9-11-18)25-29(6,26(33)16(2)23(15)28(19,4)5)21(38-43(44(39)40)45(41)42)13-22-30(25,14-35-22)37-17(3)31;1-14-18(31)11-17-23(36-26(34)16-9-7-6-8-10-16)24-28(5,25(33)22(32)21(14)27(17,3)4)19(38-43(44(39)40)45(41)42)12-20-29(24,13-35-20)37-15(2)30;1-14-18(31)11-17-23(37-26(35)16-9-7-6-8-10-16)24-28(5,25(34)22(33)21(14)27(17,3)4)19(32)12-20-29(24,13-36-20)38-15(2)30;/h7-11,16,19-22,24-26,32-33H,12-14,39-42H2,1-6H3;7-11,16,19-22,24-25,32H,12-14,39-42H2,1-6H3;6-10,17-20,22-24,31-32H,11-13,39-42H2,1-5H3;6-10,17-20,22-24,31-33H,11-13H2,1-5H3;1H4/t16-,19?,20?,21+,22-,24-,25+,26-,29-,30+;16-,19?,20?,21+,22-,24-,25+,29-,30+;2*17?,18?,19-,20+,22+,23+,24-,28+,29-;/m1100./s1.
What are the key properties of [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane?
[(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane has a molecular weight of 2800.13 g/mol, XLogP of 23.97, 24 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,7R,9S,10R,11R,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-11,15-dihydroxy-10,12,14,17,17-pentamethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-12,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9-bis[bis(phosphanyl)phosphanyl]phosphanyloxy-15-hydroxy-10,12,14,17,17-pentamethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;[(2R,3R,4S,7R,9S,10S,12R)-4-acetyloxy-9,12,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;methane is sourced from PubChem (CID 159777655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).