| SpectraBase Compound ID | FWCXKjCOtDP |
|---|---|
| InChI | InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24?,25?,26-,27+,29?,30?,31?,34-,35-,36-,37+,38?,39?,40?,41+,42?/m0/s1 |
| InChIKey | XJSFLOJWULLJQS-FYUGVURDSA-N |
| Mol Weight | 828.0 g/mol |
| Molecular Formula | C42H69NO15 |
| Exact Mass | 827.466721 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQSk57ctheZ |
|---|---|
| Name | Leucomycin A3 |
| CAS Registry Number | 16846-24-5 |
| Comments | S.OMURA,A.NAKAGAWA,H.TAKESHIMA,J.AMER.CHEM.SOC. |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C42H69NO15 |
| InChI | InChI=1S/C42H69NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29-31,34-41,46,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24?,25?,26-,27+,29?,30?,31?,34-,35-,36-,37+,38?,39?,40?,41+,42?/m0/s1 |
| InChIKey | XJSFLOJWULLJQS-FYUGVURDSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | S. Omura, A. Nakagawa, A. Neszmelyi, J. Am. Chem. Soc. 97, 4001 (1975). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |