| SpectraBase Compound ID | FQwNtC5spMS |
|---|---|
| InChI | InChI=1S/C61H90N2O21/c1-27-14-17-42(80-47-25-59(10,63(72)73)54(35(9)79-47)62-58(71)75-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)84-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)82-46-23-43(50(67)32(6)76-46)81-44-22-41(66)53(34(8)78-44)83-45-21-40(65)52(74-12)33(7)77-45/h14-16,19-20,29-35,37-47,49-54,64-67,69H,17-18,21-26H2,1-13H3,(H,62,71)/b27-14+,28-19+/t29-,30-,31+,32-,33-,34-,35+,37+,38-,39-,40+,41+,42-,43+,44-,45+,46-,47-,49+,50-,51-,52-,53-,54-,59-,60+,61-/m0/s1 |
| InChIKey | GRVIKFGPGUQNHQ-GGYAFDJOSA-N |
| Mol Weight | 1187.4 g/mol |
| Molecular Formula | C61H90N2O21 |
| Exact Mass | 1186.603608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDzECOAKo7h |
|---|---|
| Name | LOBOPHORIN-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H90N2O21 |
| InChI | InChI=1S/C61H90N2O21/c1-27-14-17-42(80-47-25-59(10,63(72)73)54(35(9)79-47)62-58(71)75-13)28(2)19-37-20-36(26-64)31(5)24-61(37)56(69)48(57(70)84-61)55(68)60(11)39(27)16-15-38-49(60)29(3)18-30(4)51(38)82-46-23-43(50(67)32(6)76-46)81-44-22-41(66)53(34(8)78-44)83-45-21-40(65)52(74-12)33(7)77-45/h14-16,19-20,29-35,37-47,49-54,64-67,69H,17-18,21-26H2,1-13H3,(H,62,71)/b27-14+,28-19+/t29-,30-,31+,32-,33-,34-,35+,37+,38-,39-,40+,41+,42-,43+,44-,45+,46-,47-,49+,50-,51-,52-,53-,54-,59-,60+,61-/m0/s1 |
| InChIKey | GRVIKFGPGUQNHQ-GGYAFDJOSA-N |
| Literature Reference Author | H.Q.PAN,S.Y.ZHANG,N.WANG,Z.L.LI,H.M.HUA,J.C.HU,S.J.WANG |
| Literature Reference Citation | MAR.DRUGS,11,3891(2013) |
| Literature Reference DOI | 10.3390/md11103891 |
| Molecular Weight | 1187.386 g/mol |
| Source File Reference | UWBT6480 |