| SpectraBase Compound ID | 97n136YK5GA |
|---|---|
| InChI | InChI=1S/C68H81Br3O18/c1-40-11-25-55-65(3,38-72)27-9-29-67(55,5)50(40)33-87-60(64(81)83-8)49(32-58(77)85-36-53(74)43-15-21-46(70)22-16-43)62(79)89-39-66(4)28-10-30-68(6)51(41(2)12-26-56(66)68)34-86-59(63(80)82-7)48(61(78)88-37-54(75)44-17-23-47(71)24-18-44)31-57(76)84-35-52(73)42-13-19-45(69)20-14-42/h13-24,48-51,55-56,59-60,72H,1-2,9-12,25-39H2,3-8H3/t48-,49+,50-,51+,55?,56?,59+,60-,65-,66+,67+,68-/m0/s1 |
| InChIKey | IKTVPVWLXIBCSF-OMHPJNDCSA-N |
| Mol Weight | 1426.1 g/mol |
| Molecular Formula | C68H81Br3O18 |
| Exact Mass | 1422.297305 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GeGB5BdRAnQ |
|---|---|
| Name | CRYPTOPORIC-ACID-G-TRI-PARA-BROMOPHENACYLESTER;CA-F-TRI-PARA-BROMOPHENACYLESTER |
| Compound Number | 33 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H81Br3O18 |
| InChI | InChI=1S/C68H81Br3O18/c1-40-11-25-55-65(3,38-72)27-9-29-67(55,5)50(40)33-87-60(64(81)83-8)49(32-58(77)85-36-53(74)43-15-21-46(70)22-16-43)62(79)89-39-66(4)28-10-30-68(6)51(41(2)12-26-56(66)68)34-86-59(63(80)82-7)48(61(78)88-37-54(75)44-17-23-47(71)24-18-44)31-57(76)84-35-52(73)42-13-19-45(69)20-14-42/h13-24,48-51,55-56,59-60,72H,1-2,9-12,25-39H2,3-8H3/t48-,49+,50-,51+,55?,56?,59+,60-,65-,66+,67+,68-/m0/s1 |
| InChIKey | IKTVPVWLXIBCSF-OMHPJNDCSA-N |
| Literature Reference Author | Y.ASAKAWA,T.HASHIMOTO,Y.MIZUNO,M.TORI,Y.FUKAZAWA |
| Literature Reference Citation | PHYTOCHEM.,31,579(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)90042-O |
| Molecular Weight | 1426.092 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6114 |