| SpectraBase Compound ID | GuOFlTIaiv1 |
|---|---|
| InChI | InChI=1S/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t31-,32-,33+,34-,36+,37-,38-,41-,42-/m0/s1 |
| InChIKey | IIRHRPDTNGFOSK-WLSWXFANSA-N |
| Mol Weight | 983.3 g/mol |
| Molecular Formula | C51H82N8O11 |
| Exact Mass | 982.610305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ATUlCYMe2xY |
|---|---|
| Name | IBU-EPIDEMETHOXYLYNGBYASTATIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H82N8O11 |
| InChI | InChI=1S/C51H82N8O11/c1-17-22-36-32(8)49(68)70-42(31(7)18-2)47(66)53-27-39(60)57(14)37(25-29(3)4)45(64)52-28-40(61)59(16)41(30(5)6)48(67)58(15)38(26-35-23-20-19-21-24-35)46(65)54-33(9)43(62)51(11,12)50(69)56(13)34(10)44(63)55-36/h19-21,23-24,29-34,36-38,41-42H,17-18,22,25-28H2,1-16H3,(H,52,64)(H,53,66)(H,54,65)(H,55,63)/t31-,32-,33+,34-,36+,37-,38-,41-,42-/m0/s1 |
| InChIKey | IIRHRPDTNGFOSK-WLSWXFANSA-N |
| Literature Reference Author | C.C.THORNBURG,M.THIMMAIAH,L.A.SHAALA,A.M.HAU,J.M.MALMO,J.E.I SHMAEL,D.T.A.YOUSSEF |
| Literature Reference Citation | J.NAT.PROD.,74,1677(2011) |
| Literature Reference DOI | 10.1021/np200270d |
| Molecular Weight | 983.259 g/mol |
| Sample ID | 39078 |
| Solvent | CDCl3 |