| SpectraBase Compound ID | IBN5fuyBzUh |
|---|---|
| InChI | InChI=1S/C32H56N2O10/c1-12-14-41-31(8)16-17(3)28(38)33-21(7)26(37)32(9,40)23(13-2)43-29(39)20(6)24(35)19(5)27(31)44-30-25(36)22(34(10)11)15-18(4)42-30/h12,17-23,25-27,30,36-37,40H,1,13-16H2,2-11H3,(H,33,38)/t17-,18-,19+,20-,21-,22+,23-,25-,26-,27-,30+,31-,32-/m1/s1 |
| InChIKey | DXBUGCCBEHRAPU-UDKJSYBRSA-N |
| Mol Weight | 628.8 g/mol |
| Molecular Formula | C32H56N2O10 |
| Exact Mass | 628.393496 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | qOKLrnm9oE |
|---|---|
| Name | 6-O-ALLYL-3-OXO-9A-AZA-9A-HOMOERYTHROMYCIN_A |
| Compound Number | 5C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H56N2O10 |
| InChI | InChI=1S/C32H56N2O10/c1-12-14-41-31(8)16-17(3)28(38)33-21(7)26(37)32(9,40)23(13-2)43-29(39)20(6)24(35)19(5)27(31)44-30-25(36)22(34(10)11)15-18(4)42-30/h12,17-23,25-27,30,36-37,40H,1,13-16H2,2-11H3,(H,33,38)/t17-,18-,19+,20-,21-,22+,23-,25-,26-,27-,30+,31-,32-/m1/s1 |
| InChIKey | DXBUGCCBEHRAPU-UDKJSYBRSA-N |
| Literature Reference Author | S.ALIHODZIC,A.FAJDETIC,G.KOBREHEL,G.LAZAREVSKI,S.MUTAK,D.PAV LOVIC,V.STIMAC,H.CIP |
| Literature Reference Citation | J.ANTIBIOTICS,59,753(2006) |
| Literature Reference DOI | 10.1038/ja.2006.100 |
| Molecular Weight | 628.804 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMB471 |