| SpectraBase Compound ID | s21knsbJxF |
|---|---|
| InChI | InChI=1S/C44H60N2O11/c1-7-8-12-23-36-43(4,5)40(51)41(52)44(54,57-36)32(28-46-37(48)26-31-20-13-11-14-21-31)42(53)45-25-18-17-19-29(2)39(55-6)30(3)35-27-33(47)34(56-35)22-15-9-10-16-24-38(49)50/h7-24,30,32-36,39-41,47,51-52,54H,25-28H2,1-6H3,(H,45,53)(H,46,48)(H,49,50)/b8-7-,10-9+,18-17+,22-15+,23-12+,24-16+,29-19+/t30?,32?,33?,34?,35?,36-,39?,40-,41+,44+/m0/s1 |
| InChIKey | CKFAHUZFCCBYPL-PXQZOESXSA-N |
| Mol Weight | 793.0 g/mol |
| Molecular Formula | C44H60N2O11 |
| Exact Mass | 792.419711 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSftydGgbzA |
|---|---|
| Name | CKFAHUZFCCBYPL-PXQZOESXSA-N |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H60N2O11 |
| InChI | InChI=1S/C44H60N2O11/c1-7-8-12-23-36-43(4,5)40(51)41(52)44(54,57-36)32(28-46-37(48)26-31-20-13-11-14-21-31)42(53)45-25-18-17-19-29(2)39(55-6)30(3)35-27-33(47)34(56-35)22-15-9-10-16-24-38(49)50/h7-24,30,32-36,39-41,47,51-52,54H,25-28H2,1-6H3,(H,45,53)(H,46,48)(H,49,50)/b8-7-,10-9+,18-17+,22-15+,23-12+,24-16+,29-19+/t30?,32?,33?,34?,35?,36-,39?,40-,41+,44+/m0/s1 |
| InChIKey | CKFAHUZFCCBYPL-PXQZOESXSA-N |
| Literature Reference Author | G.T.CARTER,D.W.PHILLIPSON,R.R.WEST,D.B.BORDERS |
| Literature Reference Citation | J.ORG.CHEM.,58,6588(1993) |
| Literature Reference DOI | 10.1021/jo00076a016 |
| Molecular Weight | 792.967 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWMZ3948 |