| SpectraBase Compound ID | 1821UCJhr65 |
|---|---|
| InChI | InChI=1S/C87H144O6/c1-58(2)31-22-34-61(7)37-25-40-64(10)43-28-49-82(19)52-46-73-74-48-54-86(91-79(74)69(15)67(13)77(73)89-82)81(88)71(17)72(18)87-85(86,56-55-84(21,93-87)51-30-45-66(12)42-27-39-63(9)36-24-33-60(5)6)57-76-75-47-53-83(20,90-78(75)68(14)70(16)80(76)92-87)50-29-44-65(11)41-26-38-62(8)35-23-32-59(3)4/h58-66H,22-57H2,1-21H3/t61?,62?,63?,64?,65?,66?,82-,83+,84+,85+,86-,87+/m0/s1 |
| InChIKey | DMRGZXCDSJTYSL-FQUNUABJSA-N |
| Mol Weight | 1286.1 g/mol |
| Molecular Formula | C87H144O6 |
| Exact Mass | 1285.096292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6FsOlEHBgQx |
|---|---|
| Name | TOCOPHEROL_TRIMER_IV_A |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C87H144O6 |
| InChI | InChI=1S/C87H144O6/c1-58(2)31-22-34-61(7)37-25-40-64(10)43-28-49-82(19)52-46-73-74-48-54-86(91-79(74)69(15)67(13)77(73)89-82)81(88)71(17)72(18)87-85(86,56-55-84(21,93-87)51-30-45-66(12)42-27-39-63(9)36-24-33-60(5)6)57-76-75-47-53-83(20,90-78(75)68(14)70(16)80(76)92-87)50-29-44-65(11)41-26-38-62(8)35-23-32-59(3)4/h58-66H,22-57H2,1-21H3/t61?,62?,63?,64?,65?,66?,82-,83+,84+,85+,86-,87+/m0/s1 |
| InChIKey | DMRGZXCDSJTYSL-FQUNUABJSA-N |
| Literature Reference Author | L.C.ROW,J.C.HO,C.M.CHEN |
| Literature Reference Citation | J.NAT.PROD.,70,1214(2007) |
| Literature Reference DOI | 10.1021/np070095j |
| Molecular Weight | 1286.097 g/mol |
| Sample ID | 30677 |
| Solvent | CDCl3 |