About [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate
[(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate (PubChem CID 157240740) has the molecular formula C152H268N4O49S3
and a molecular weight of 3032.00 g/mol. Its IUPAC name is [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate.
Frequently Asked Questions
What is the IUPAC name of [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate?
The IUPAC name of [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate (CID 157240740) is [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate.
What is the SMILES notation for [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate?
The canonical SMILES for [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate is CC(C)(C)NC(=O)OC1/C=C\C(O)CC(O)C(OC(C)(C)C)C1.CC(C)(C)NC(=O)OC1/C=C\C(O)CC(OC(C)(C)C)C(O)C1.CC(C)(C)NC(=O)OC1/C=C\C(OC(=O)NC(C)(C)C)CC(OC(C)(C)C)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\C(O)CC(O)C(OC(C)(C)C)C1.CC(C)(C)OC(=O)OC1/C=C\C(OC(=O)OC(C)(C)C)CC(O)C(O)C1.CC(C)(C)OC(=O)OC1/C=C\C(OC(=O)OC(C)(C)C)CC(OC(C)(C)C)C(O)C1.CC(C)(C)OC1CC(OC(=O)SC(C)(C)C)/C=C\C(O)CC1O.CC(C)(C)OC1CC(OC(=O)SC(C)(C)C)/C=C\C(OC(=O)SC(C)(C)C)CC1O.
What is the InChIKey of [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate?
The InChIKey is AVEJIWQWBAUPRF-ZBUGKXCZSA-N. The full InChI is InChI=1S/C22H40N2O6.C22H38O8.C22H38O6S2.C18H30O8.2C17H31NO5.C17H30O6.C17H30O5S/c1-20(2,3)23-18(26)28-14-10-11-15(29-19(27)24-21(4,5)6)13-17(16(25)12-14)30-22(7,8)9;2*1-20(2,3)28-17-13-15(27-19(25)30-22(7,8)9)11-10-14(12-16(17)23)26-18(24)29-21(4,5)6;1-17(2,3)25-15(21)23-11-7-8-12(10-14(20)13(19)9-11)24-16(22)26-18(4,5)6;1-16(2,3)18-15(21)22-12-8-7-11(19)9-14(13(20)10-12)23-17(4,5)6;1-16(2,3)18-15(21)22-12-8-7-11(19)9-13(20)14(10-12)23-17(4,5)6;2*1-16(2,3)22-14-10-12(8-7-11(18)9-13(14)19)21-15(20)23-17(4,5)6/h10-11,14-17,25H,12-13H2,1-9H3,(H,23,26)(H,24,27);2*10-11,14-17,23H,12-13H2,1-9H3;7-8,11-14,19-20H,9-10H2,1-6H3;2*7-8,11-14,19-20H,9-10H2,1-6H3,(H,18,21);2*7-8,11-14,18-19H,9-10H2,1-6H3/b3*11-10-;5*8-7-.
What are the key properties of [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate?
[(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate has a molecular weight of 3032.00 g/mol, XLogP of 26.95, 19 rotatable bonds, 17 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-(tert-butylcarbamoyloxy)-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;tert-butyl [(2E)-6,7-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] carbonate;tert-butyl [(2E)-6-hydroxy-7-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyloxy]cyclooct-2-en-1-yl] carbonate;[(2E)-4-tert-butylsulfanylcarbonyloxy-7-hydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,7-dihydroxy-6-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate;[(2E)-4,6-dihydroxy-7-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] tert-butylsulfanylformate is sourced from PubChem (CID 157240740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).