| SpectraBase Compound ID | CNngcfhHFw6 |
|---|---|
| InChI | InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16-,20-/m0/s1 |
| InChIKey | RGJOEKWQDUBAIZ-RXPJKXIYSA-N |
| Mol Weight | 767.5 g/mol |
| Molecular Formula | C21H36N7O16P3S |
| Exact Mass | 767.11521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3LU9xQq5XKA |
|---|---|
| Name | COENZYME-A;COMPUND-#COASH |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32N7O16P3S |
| InChI | InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16-,20-/m0/s1 |
| InChIKey | RGJOEKWQDUBAIZ-RXPJKXIYSA-N |
| Literature Reference Author | C.LI,R.SUBRAMANIAN,S.YU,T.PRUEKSARITANONT |
| Literature Reference Citation | DRUG.MET.DISP.,34,102(2006) |
| Molecular Weight | 763.504 g/mol |
| Source File Reference | UWLU74242 |