| SpectraBase Compound ID | 5R9cHmybboP |
|---|---|
| InChI | InChI=1S/C31H51NO10/c1-9-23-18(4)29-31(6,42-29)12-10-21(34)16(2)14-20(11-13-33)28(17(3)22(35)15-24(36)40-23)41-30-27(38)25(32(7)8)26(37)19(5)39-30/h10,12-13,16-20,22-23,25-30,35,37-38H,9,11,14-15H2,1-8H3/b12-10+/t16?,17?,18?,19-,20?,22?,23?,25+,26+,27-,28?,29?,30+,31?/m0/s1 |
| InChIKey | PYLRKBRNWXMGSG-LZWNZAKUSA-N |
| Mol Weight | 597.7 g/mol |
| Molecular Formula | C31H51NO10 |
| Exact Mass | 597.351297 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElQbjBsNBjo |
|---|---|
| Name | Cirramycin A1 |
| CAS Registry Number | 25339-90-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C31H51NO10 |
| InChI | InChI=1S/C31H51NO10/c1-9-23-18(4)29-31(6,42-29)12-10-21(34)16(2)14-20(11-13-33)28(17(3)22(35)15-24(36)40-23)41-30-27(38)25(32(7)8)26(37)19(5)39-30/h10,12-13,16-20,22-23,25-30,35,37-38H,9,11,14-15H2,1-8H3/b12-10+/t16?,17?,18?,19-,20?,22?,23?,25+,26+,27-,28?,29?,30+,31?/m0/s1 |
| InChIKey | PYLRKBRNWXMGSG-LZWNZAKUSA-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 |