| SpectraBase Compound ID | GW5Ceepgwkb |
|---|---|
| InChI | InChI=1S/C74H89N6O28P.C6H15N/c1-40(81)75-57-58(76-41(2)82)73(101-53(36-92-34-48-20-12-8-13-21-48)62(57)104-74-68(98-46(7)87)59(77-42(3)83)63-55(102-74)38-95-69(103-63)50-24-16-10-17-25-50)108-109(90,91)107-67-61(79-44(5)85)72(100-56-39-96-70(105-65(56)67)51-26-18-11-19-27-51)106-64-54(37-93-35-49-22-14-9-15-23-49)99-71(60(78-43(4)84)66(64)97-45(6)86)94-33-32-47-28-30-52(31-29-47)80(88)89;1-4-7(5-2)6-3/h8-31,53-74H,32-39H2,1-7H3,(H,75,81)(H,76,82)(H,77,83)(H,78,84)(H,79,85)(H,90,91);4-6H2,1-3H3/t53-,54+,55-,56+,57-,58-,59+,60+,61+,62+,63+,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+;/m0./s1 |
| InChIKey | YQGLKABEAWMCJL-YOQPYXPGSA-N |
| Mol Weight | 1642.7 g/mol |
| Molecular Formula | C80H104N7O28P |
| Exact Mass | 1641.666693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C0hkJgWhouo |
|---|---|
| Name | YQGLKABEAWMCJL-YOQPYXPGSA-N |
| Compound Number | 29 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H104N7O28P |
| InChI | InChI=1S/C74H89N6O28P.C6H15N/c1-40(81)75-57-58(76-41(2)82)73(101-53(36-92-34-48-20-12-8-13-21-48)62(57)104-74-68(98-46(7)87)59(77-42(3)83)63-55(102-74)38-95-69(103-63)50-24-16-10-17-25-50)108-109(90,91)107-67-61(79-44(5)85)72(100-56-39-96-70(105-65(56)67)51-26-18-11-19-27-51)106-64-54(37-93-35-49-22-14-9-15-23-49)99-71(60(78-43(4)84)66(64)97-45(6)86)94-33-32-47-28-30-52(31-29-47)80(88)89;1-4-7(5-2)6-3/h8-31,53-74H,32-39H2,1-7H3,(H,75,81)(H,76,82)(H,77,83)(H,78,84)(H,79,85)(H,90,91);4-6H2,1-3H3/t53-,54+,55-,56+,57-,58-,59+,60+,61+,62+,63+,64-,65-,66+,67+,68-,69+,70-,71-,72-,73-,74+;/m0./s1 |
| InChIKey | YQGLKABEAWMCJL-YOQPYXPGSA-N |
| Literature Reference Author | J.HANSSON,P.J.GAREGG,S.OSCARSON |
| Literature Reference Citation | J.ORG.CHEM.,66,6234(2001) |
| Literature Reference DOI | 10.1021/jo001302m |
| Molecular Weight | 1642.710 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN24575 |