About 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane
2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane (PubChem CID 158384489) has the molecular formula C138H162N6O24+2
and a molecular weight of 2288.83 g/mol. Its IUPAC name is 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane.
Frequently Asked Questions
What is the IUPAC name of 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane?
The IUPAC name of 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane (CID 158384489) is 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane.
What is the SMILES notation for 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane?
The canonical SMILES for 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane is C.C.C.C.C.C.CCCC1=C2C=C(C)Cc3c(OC)c(NCC)c4c5c3C2C2=C(C(=O)C=C(CO)C2=C5C(CO)=CC4=O)C1O.CCCc1c(NCC)c2c(=O)cc(CO)c3c4c(CO)cc(O)c5c(=O)c(OC)c6c(c(c1C=C(C)C6)c23)c54.CCNc1cc(CO)c2c3c(CO)cc(=O)c4c(O)c(CC[N+](C)(C)C)c5c(c6c(c(OC)c(=O)c1c26)CC(C)=C5)c43.CCNc1cc(CO)c2c3c(CO)cc(=O)c4c(O)c(OC)c5c(c6c(c(CC[N+](C)(C)C)c(=O)c1c26)C=C(C)C5)c43.
What is the InChIKey of 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane?
The InChIKey is AJCTXMLWDWOBMI-UHFFFAOYSA-P. The full InChI is InChI=1S/2C34H36N2O6.C32H33NO6.C32H31NO6.6CH4/c1-7-35-22-12-17(14-37)24-25-18(15-38)13-23(39)29-31(25)26-20(19(32(29)40)8-9-36(3,4)5)10-16(2)11-21-27(26)30(24)28(22)33(41)34(21)42-6;1-7-35-22-12-17(14-37)24-25-18(15-38)13-23(39)29-31(25)27-21(34(42-6)33(29)41)11-16(2)10-20-19(8-9-36(3,4)5)32(40)28(22)30(24)26(20)27;1-5-7-17-18-8-14(3)9-19-25-24(18)29-23(16(13-35)11-21(37)27(29)31(17)38)22-15(12-34)10-20(36)26(28(22)25)30(33-6-2)32(19)39-4;1-5-7-17-18-8-14(3)9-19-25-24(18)28-22(15(12-34)10-20(36)26(28)30(17)33-6-2)23-16(13-35)11-21(37)27(29(23)25)31(38)32(19)39-4;;;;;;/h2*10,12-13,37-38H,7-9,11,14-15H2,1-6H3,(H-,35,39,40,41);8,10-11,24,31,33-35,38H,5-7,9,12-13H2,1-4H3;8,10-11,33-35,37H,5-7,9,12-13H2,1-4H3;6*1H4/p+2.
What are the key properties of 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane?
2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane has a molecular weight of 2288.83 g/mol, XLogP of 21.09, 30 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(ethylamino)-17-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-9,19-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2,4(22),5,7,10,12,16,18(23),20-decaenyl]ethyl-trimethylazanium;2-[19-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-7,17-dioxo-10-hexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaenyl]ethyl-trimethylazanium;9-(ethylamino)-19-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(23),2,4(22),5,8,10,12,15,18,20-decaene-7,17-dione;17-(ethylamino)-9-hydroxy-5,21-bis(hydroxymethyl)-16-methoxy-13-methyl-10-propylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),3(8),4(22),5,10,12,16,18(23),20-nonaene-7,19-dione;methane is sourced from PubChem (CID 158384489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).