| SpectraBase Compound ID | H3C7aWGEmND |
|---|---|
| InChI | InChI=1S/C70H80N12O19/c1-41-33-79(65(91)75-57(41)83)37-97-53(29-25-46-18-10-14-22-50(46)72-63(89)55(99-39-81-35-43(3)59(85)77-67(81)93)31-27-48-20-12-16-24-52(48)74-69(95)101-70(5,6)7)61(87)71-49-21-13-9-17-45(49)26-30-54(98-38-80-34-42(2)58(84)76-66(80)92)62(88)73-51-23-15-11-19-47(51)28-32-56(64(90)96-8)100-40-82-36-44(4)60(86)78-68(82)94/h9-24,33-36,53-56H,25-32,37-40H2,1-8H3,(H,71,87)(H,72,89)(H,73,88)(H,74,95)(H,75,83,91)(H,76,84,92)(H,77,85,93)(H,78,86,94)/t53-,54-,55-,56-/m0/s1 |
| InChIKey | ZAPNTZGPIWDMKK-YKLCXBGOSA-N |
| Mol Weight | 1393.5 g/mol |
| Molecular Formula | C70H80N12O19 |
| Exact Mass | 1392.566268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pApHQ9vZf4 |
|---|---|
| Name | ZAPNTZGPIWDMKK-YKLCXBGOSA-N |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C70H80N12O19 |
| InChI | InChI=1S/C70H80N12O19/c1-41-33-79(65(91)75-57(41)83)37-97-53(29-25-46-18-10-14-22-50(46)72-63(89)55(99-39-81-35-43(3)59(85)77-67(81)93)31-27-48-20-12-16-24-52(48)74-69(95)101-70(5,6)7)61(87)71-49-21-13-9-17-45(49)26-30-54(98-38-80-34-42(2)58(84)76-66(80)92)62(88)73-51-23-15-11-19-47(51)28-32-56(64(90)96-8)100-40-82-36-44(4)60(86)78-68(82)94/h9-24,33-36,53-56H,25-32,37-40H2,1-8H3,(H,71,87)(H,72,89)(H,73,88)(H,74,95)(H,75,83,91)(H,76,84,92)(H,77,85,93)(H,78,86,94)/t53-,54-,55-,56-/m0/s1 |
| InChIKey | ZAPNTZGPIWDMKK-YKLCXBGOSA-N |
| Literature Reference Author | Y.S.TSANTRIZOS,J.F.LUNETTA,M.BOYD,L.D.FADER,M.C.WILSON |
| Literature Reference Citation | J.ORG.CHEM.,62,5451(1997) |
| Literature Reference DOI | 10.1021/jo962326p |
| Molecular Weight | 1393.474 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ4492 |