| SpectraBase Compound ID | 5jdThf583ls |
|---|---|
| InChI | InChI=1S/C40H42O21/c1-18(41)50-15-31-34(54-20(3)43)35(55-21(4)44)36(56-22(5)45)38(60-31)59-27-12-29(48)32-30(13-27)51-14-28(33(32)49)25-8-10-26(11-9-25)58-39-37(57-23(6)46)40(17-53-39,61-24(7)47)16-52-19(2)42/h8-14,31,34-39,48H,15-17H2,1-7H3/t31-,34-,35+,36-,37-,38-,39-,40+/m1/s1 |
| InChIKey | LUHCONGPKKEKOR-IWPUVQFYSA-N |
| Mol Weight | 858.8 g/mol |
| Molecular Formula | C40H42O21 |
| Exact Mass | 858.221858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JK1PPI7YaMW |
|---|---|
| Name | NEOBACIN-HEPTAACETATE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H42O21 |
| InChI | InChI=1S/C40H42O21/c1-18(41)50-15-31-34(54-20(3)43)35(55-21(4)44)36(56-22(5)45)38(60-31)59-27-12-29(48)32-30(13-27)51-14-28(33(32)49)25-8-10-26(11-9-25)58-39-37(57-23(6)46)40(17-53-39,61-24(7)47)16-52-19(2)42/h8-14,31,34-39,48H,15-17H2,1-7H3/t31-,34-,35+,36-,37-,38-,39-,40+/m1/s1 |
| InChIKey | LUHCONGPKKEKOR-IWPUVQFYSA-N |
| Literature Reference Author | J.C.BREYTENBACH |
| Literature Reference Citation | J.NAT.PROD.,49,1003(1986) |
| Literature Reference DOI | 10.1021/np50048a006 |
| Molecular Weight | 858.761 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED17255 |