| SpectraBase Compound ID | 8EQTrCU7US8 |
|---|---|
| InChI | InChI=1S/C50H76O15/c1-26-13-12-16-33-25-58-47-42(52)28(3)19-36(50(33,47)55)48(54)61-35-20-34(64-49(23-35)24-37(51)29(4)45(65-49)32-14-10-9-11-15-32)18-17-27(2)44(26)62-41-22-39(57-8)46(31(6)60-41)63-40-21-38(56-7)43(53)30(5)59-40/h12-13,16-17,19,26,29-32,34-47,51-53,55H,9-11,14-15,18,20-25H2,1-8H3/b13-12+,27-17+,33-16+/t26-,29-,30-,31-,34+,35-,36+,37-,38-,39-,40-,41-,42?,43-,44-,45-,46-,47+,49-,50+/m0/s1 |
| InChIKey | RKKKCJRJZJRXCV-HQXLDFGSSA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C50H76O15 |
| Exact Mass | 916.518422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16B3UR53xoP |
|---|---|
| Name | 25-CYCLOHEXYL-AVERMECTIN-B2 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H76O15 |
| InChI | InChI=1S/C50H76O15/c1-26-13-12-16-33-25-58-47-42(52)28(3)19-36(50(33,47)55)48(54)61-35-20-34(64-49(23-35)24-37(51)29(4)45(65-49)32-14-10-9-11-15-32)18-17-27(2)44(26)62-41-22-39(57-8)46(31(6)60-41)63-40-21-38(56-7)43(53)30(5)59-40/h12-13,16-17,19,26,29-32,34-47,51-53,55H,9-11,14-15,18,20-25H2,1-8H3/b13-12+,27-17+,33-16+/t26-,29-,30-,31-,34+,35-,36+,37-,38-,39-,40-,41-,42?,43-,44-,45-,46-,47+,49-,50+/m0/s1 |
| InChIKey | RKKKCJRJZJRXCV-HQXLDFGSSA-N |
| Literature Reference Author | C.J.DUTTON,S.P.GIBSON,M.KINNS,A.G.SWANSON,J.BORDNER |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-2,403(1995) |
| Literature Reference DOI | 10.1039/p29950000403 |
| Molecular Weight | 917.144 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG873 |