| SpectraBase Compound ID | BOkK0BawFV1 |
|---|---|
| InChI | InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 |
| InChIKey | QLFZZSKTJWDQOS-YDBLARSUSA-N |
| Mol Weight | 899.1 g/mol |
| Molecular Formula | C50H74O14 |
| Exact Mass | 898.507857 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9bAZH9PXNGz |
|---|---|
| Name | DORAMECTIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H74O14 |
| InChI | InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1 |
| InChIKey | QLFZZSKTJWDQOS-YDBLARSUSA-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 | 899.129 g/mol |
| Solvent | CDCl3 |
| Source File Reference | WANG872 |