| SpectraBase Compound ID | 7MABiLjgNTP |
|---|---|
| InChI | InChI=1S/C63H99N3O18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(79)80)61(78)48(4)58(76)36-21-17-13-8-6-5-7-9-14-18-22-37-60(84-85(81,82)83)47(3)59(77)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,67-76,78H,11,15,26,30-31,33,35,37-44H2,1-4H3,(H,79,80)(H4,64,65,66)(H,81,82,83)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+ |
| InChIKey | OQRILZSNZMAVTK-MZAOIEPISA-N |
| Mol Weight | 1218.5 g/mol |
| Molecular Formula | C63H99N3O18S |
| Exact Mass | 1217.664435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Z7tzyOzpDT |
|---|---|
| Name | ClETHRAMYCIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H99N3O18S |
| InChI | InChI=1S/C63H99N3O18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(79)80)61(78)48(4)58(76)36-21-17-13-8-6-5-7-9-14-18-22-37-60(84-85(81,82)83)47(3)59(77)44-57(75)43-54(72)34-25-33-53(71)42-56(74)41-52(70)32-24-31-50(68)39-49(67)29-23-30-51(69)40-55(73)35-26-38-66-63(64)65/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,67-76,78H,11,15,26,30-31,33,35,37-44H2,1-4H3,(H,79,80)(H4,64,65,66)(H,81,82,83)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+ |
| InChIKey | OQRILZSNZMAVTK-MZAOIEPISA-N |
| Literature Reference Author | Y.IGARASHI,T.IWASHITA,T.FUJITA,H.NAOKI,T.YAMAKAWA,R.YOSHIDA, T.FURUMAI |
| Literature Reference Citation | J.ANTIBIOTICS,56,705(2003) |
| Literature Reference DOI | 10.7164/antibiotics.56.705 |
| Molecular Weight | 1218.548 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSP42 |