| SpectraBase Compound ID | CT4GhkiyCAR |
|---|---|
| InChI | InChI=1S/C48H47ClN5O15P.C6H15N/c1-63-31-19-17-30(18-20-31)48(28-11-5-3-6-12-28,29-13-7-4-8-14-29)65-27-36-33(40(64-2)43(67-36)53-23-21-37(55)51-46(53)59)26-50-39(57)25-35-41(69-70(61)62)42(68-45(58)32-15-9-10-16-34(32)49)44(66-35)54-24-22-38(56)52-47(54)60;1-4-7(5-2)6-3/h3-24,33,35-36,40-44,70H,25-27H2,1-2H3,(H,50,57)(H,61,62)(H,51,55,59)(H,52,56,60);4-6H2,1-3H3/t33-,35+,36-,40-,41+,42+,43-,44+;/m0./s1 |
| InChIKey | YEKDPOHGYHEKCI-LTKRJYAMSA-N |
| Mol Weight | 1101.5 g/mol |
| Molecular Formula | C54H62ClN6O15P |
| Exact Mass | 1100.36993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWPBjMZ6EFK |
|---|---|
| Name | YEKDPOHGYHEKCI-LTKRJYAMSA-N |
| Compound Number | 20B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H61ClN6O15P |
| InChI | InChI=1S/C48H47ClN5O15P.C6H15N/c1-63-31-19-17-30(18-20-31)48(28-11-5-3-6-12-28,29-13-7-4-8-14-29)65-27-36-33(40(64-2)43(67-36)53-23-21-37(55)51-46(53)59)26-50-39(57)25-35-41(69-70(61)62)42(68-45(58)32-15-9-10-16-34(32)49)44(66-35)54-24-22-38(56)52-47(54)60;1-4-7(5-2)6-3/h3-24,33,35-36,40-44,70H,25-27H2,1-2H3,(H,50,57)(H,61,62)(H,51,55,59)(H,52,56,60);4-6H2,1-3H3/t33-,35+,36-,40-,41+,42+,43-,44+;/m0./s1 |
| InChIKey | YEKDPOHGYHEKCI-LTKRJYAMSA-N |
| Literature Reference Author | E.ROZNERS,D.KATKEVICA,E.BIZDENA,R.STROEMBERG |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,12125(2003) |
| Literature Reference DOI | 10.1021/ja0360900 |
| Molecular Weight | 1100.536 g/mol |
| Sample ID | 50614 |
| Solvent | CDCl3:CD3OD=9:1 |