![UDCA-[G#1]-COOH](/api/spectrum/KA7cIScZcFm/structure.png?h=300&w=458 "UDCA-[G#1]-COOH")
| SpectraBase Compound ID | 3ZDI1ilhGQq |
|---|---|
| InChI | InChI=1S/C61H94O14/c1-34(44-14-16-46-54-48(22-26-60(44,46)10)58(8)24-20-42(72-36(3)62)28-40(58)30-50(54)74-38(5)64)12-18-52(66)70-32-57(7,56(68)69)33-71-53(67)19-13-35(2)45-15-17-47-55-49(23-27-61(45,47)11)59(9)25-21-43(73-37(4)63)29-41(59)31-51(55)75-39(6)65/h34-35,40-51,54-55H,12-33H2,1-11H3,(H,68,69)/t34-,35-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,54?,55?,57?,58+,59+,60-,61-/m1/s1 |
| InChIKey | LNIWIWWTFCWTTE-SYCVZPOCSA-N |
| Mol Weight | 1051.4 g/mol |
| Molecular Formula | C61H94O14 |
| Exact Mass | 1050.664358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KA7cIScZcFm |
|---|---|
| Name | UDCA-[G#1]-COOH |
| Compound Number | 7B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H94O14 |
| InChI | InChI=1S/C61H94O14/c1-34(44-14-16-46-54-48(22-26-60(44,46)10)58(8)24-20-42(72-36(3)62)28-40(58)30-50(54)74-38(5)64)12-18-52(66)70-32-57(7,56(68)69)33-71-53(67)19-13-35(2)45-15-17-47-55-49(23-27-61(45,47)11)59(9)25-21-43(73-37(4)63)29-41(59)31-51(55)75-39(6)65/h34-35,40-51,54-55H,12-33H2,1-11H3,(H,68,69)/t34-,35-,40+,41+,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,54?,55?,57?,58+,59+,60-,61-/m1/s1 |
| InChIKey | LNIWIWWTFCWTTE-SYCVZPOCSA-N |
| Literature Reference Author | J.ROPPONEN,J.TAMMINEN,M.LAHTINEN,J.LINNANTO,K.RISSANEN,E.KOL EHMAINEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,73(2005) |
| Molecular Weight | 1051.409 g/mol |
| Sample ID | 42208 |
| Solvent | CDCl3 |