| SpectraBase Compound ID | GaQbML7A66f |
|---|---|
| InChI | InChI=1S/C62H99N2O14P/c1-36(13-12-26-76-79(69,70)71)44-17-19-46-55-48(32-52(74-9)61(44,46)5)59(3)24-22-42(28-40(59)30-50(55)72-7)77-57(67)63-34-38-14-11-15-39(27-38)35-64-58(68)78-43-23-25-60(4)41(29-43)31-51(73-8)56-47-20-18-45(37(2)16-21-54(65)66)62(47,6)53(75-10)33-49(56)60/h11,14-15,27,36-37,40-53,55-56H,12-13,16-26,28-35H2,1-10H3,(H,63,67)(H,64,68)(H,65,66)(H2,69,70,71)/t36-,37-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,55+,56+,59+,60+,61-,62-/m1/s1 |
| InChIKey | CGJFRBJIIBMITL-SBHHJVQCSA-N |
| Mol Weight | 1127.4 g/mol |
| Molecular Formula | C62H99N2O14P |
| Exact Mass | 1126.683393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 959Ljyhk7rC |
|---|---|
| Name | CGJFRBJIIBMITL-SBHHJVQCSA-N |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H97N2O14P |
| InChI | InChI=1S/C62H99N2O14P/c1-36(13-12-26-76-79(69,70)71)44-17-19-46-55-48(32-52(74-9)61(44,46)5)59(3)24-22-42(28-40(59)30-50(55)72-7)77-57(67)63-34-38-14-11-15-39(27-38)35-64-58(68)78-43-23-25-60(4)41(29-43)31-51(73-8)56-47-20-18-45(37(2)16-21-54(65)66)62(47,6)53(75-10)33-49(56)60/h11,14-15,27,36-37,40-53,55-56H,12-13,16-26,28-35H2,1-10H3,(H,63,67)(H,64,68)(H,65,66)(H2,69,70,71)/t36-,37-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50-,51-,52+,53+,55+,56+,59+,60+,61-,62-/m1/s1 |
| InChIKey | CGJFRBJIIBMITL-SBHHJVQCSA-N |
| Literature Reference Author | C.GOTO,M.YAMAMURA,A.SATAKE,Y.KOBUKE |
| Literature Reference Citation | J.AM.CHEM.SOC.,123,12152(2001) |
| Literature Reference DOI | 10.1021/ja010761h |
| Molecular Weight | 1125.431 g/mol |
| Solvent | CDCl3:CD3OD=4:1 |
| Source File Reference | UWSI24140 |