| SpectraBase Compound ID | 42KcYuZUrE9 |
|---|---|
| InChI | InChI=1S/C86H142O6/c1-57(2)31-22-34-60(7)37-25-40-63(10)43-28-48-81(19)51-46-72-74-55-84-54-53-83(21,50-30-45-65(12)42-27-39-62(9)36-24-33-59(5)6)92-86(84,91-79(74)69(16)67(14)76(72)88-81)71(18)70(17)80(87)85(84)56-75-73-47-52-82(20,89-77(73)66(13)68(15)78(75)90-85)49-29-44-64(11)41-26-38-61(8)35-23-32-58(3)4/h57-65H,22-56H2,1-21H3/t60?,61?,62?,63?,64?,65?,81-,82+,83-,84+,85-,86-/m1/s1 |
| InChIKey | XGVMASJYFHMXGH-VGKBXDPKSA-N |
| Mol Weight | 1272.1 g/mol |
| Molecular Formula | C86H142O6 |
| Exact Mass | 1271.080642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IActK8bJQek |
|---|---|
| Name | FEROTOCOTRIMER_D |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C86H142O6 |
| InChI | InChI=1S/C86H142O6/c1-57(2)31-22-34-60(7)37-25-40-63(10)43-28-48-81(19)51-46-72-74-55-84-54-53-83(21,50-30-45-65(12)42-27-39-62(9)36-24-33-59(5)6)92-86(84,91-79(74)69(16)67(14)76(72)88-81)71(18)70(17)80(87)85(84)56-75-73-47-52-82(20,89-77(73)66(13)68(15)78(75)90-85)49-29-44-64(11)41-26-38-61(8)35-23-32-58(3)4/h57-65H,22-56H2,1-21H3/t60?,61?,62?,63?,64?,65?,81-,82+,83-,84+,85-,86-/m1/s1 |
| InChIKey | XGVMASJYFHMXGH-VGKBXDPKSA-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 | 1272.070 g/mol |
| Sample ID | 30679 |
| Solvent | CDCl3 |