| SpectraBase Compound ID | 2fLCyMM8jdi |
|---|---|
| InChI | InChI=1S/C68H81Br3O17/c1-40-12-26-55-65(3,4)28-10-30-67(55,6)50(40)34-85-60(64(80)82-9)49(33-58(76)84-37-53(73)43-16-22-46(70)23-17-43)62(78)88-39-66(5)29-11-31-68(7)51(41(2)13-27-56(66)68)35-86-59(63(79)81-8)48(61(77)87-38-54(74)44-18-24-47(71)25-19-44)32-57(75)83-36-52(72)42-14-20-45(69)21-15-42/h14-25,48-51,55-56,59-60H,1-2,10-13,26-39H2,3-9H3/t48-,49+,50-,51+,55?,56?,59+,60-,66+,67+,68-/m0/s1 |
| InChIKey | KVEOHOCVHNMLLB-DAGFLXHSSA-N |
| Mol Weight | 1410.1 g/mol |
| Molecular Formula | C68H81Br3O17 |
| Exact Mass | 1406.30239 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtnJlDT4NdD |
|---|---|
| Name | CRYPTOPORIC-ACID-F-TRI-PARA-BROMOPHENACYLESTER;CA-F-TRI-PARA-BROMOPHENACYLESTER |
| Compound Number | 31 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H81Br3O17 |
| InChI | InChI=1S/C68H81Br3O17/c1-40-12-26-55-65(3,4)28-10-30-67(55,6)50(40)34-85-60(64(80)82-9)49(33-58(76)84-37-53(73)43-16-22-46(70)23-17-43)62(78)88-39-66(5)29-11-31-68(7)51(41(2)13-27-56(66)68)35-86-59(63(79)81-8)48(61(77)87-38-54(74)44-18-24-47(71)25-19-44)32-57(75)83-36-52(72)42-14-20-45(69)21-15-42/h14-25,48-51,55-56,59-60H,1-2,10-13,26-39H2,3-9H3/t48-,49+,50-,51+,55?,56?,59+,60-,66+,67+,68-/m0/s1 |
| InChIKey | KVEOHOCVHNMLLB-DAGFLXHSSA-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 | 1410.093 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6113 |