| SpectraBase Compound ID | ChTUBA9Vz8f |
|---|---|
| InChI | InChI=1S/C78H83ClO26/c1-76(2,3)73(87)91-42-51(94-54(80)41-79)55-59(98-65(82)46-31-19-12-20-32-46)62(101-68(85)49-37-25-15-26-38-49)71(104-55)96-53(44-93-75(89)78(7,8)9)57-60(99-66(83)47-33-21-13-22-34-47)63(102-69(86)50-39-27-16-28-40-50)72(105-57)95-52(43-92-74(88)77(4,5)6)56-58(97-64(81)45-29-17-11-18-30-45)61(70(90-10)103-56)100-67(84)48-35-23-14-24-36-48/h11-40,51-53,55-63,70-72H,41-44H2,1-10H3/t51?,52?,53?,55-,56-,57+,58-,59-,60+,61+,62+,63-,70+,71+,72-/m0/s1 |
| InChIKey | HCTASHKKGRBEOB-GCBBWRJDSA-N |
| Mol Weight | 1471.9 g/mol |
| Molecular Formula | C78H83ClO26 |
| Exact Mass | 1470.48611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ch0lA8xMlc |
|---|---|
| Name | HCTASHKKGRBEOB-GCBBWRJDSA-N |
| Compound Number | 18 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H83ClO26 |
| InChI | InChI=1S/C78H83ClO26/c1-76(2,3)73(87)91-42-51(94-54(80)41-79)55-59(98-65(82)46-31-19-12-20-32-46)62(101-68(85)49-37-25-15-26-38-49)71(104-55)96-53(44-93-75(89)78(7,8)9)57-60(99-66(83)47-33-21-13-22-34-47)63(102-69(86)50-39-27-16-28-40-50)72(105-57)95-52(43-92-74(88)77(4,5)6)56-58(97-64(81)45-29-17-11-18-30-45)61(70(90-10)103-56)100-67(84)48-35-23-14-24-36-48/h11-40,51-53,55-63,70-72H,41-44H2,1-10H3/t51?,52?,53?,55-,56-,57+,58-,59-,60+,61+,62+,63-,70+,71+,72-/m0/s1 |
| InChIKey | HCTASHKKGRBEOB-GCBBWRJDSA-N |
| Literature Reference Author | H.M.ZUURMOND,P.A.M.VANDERKLEIN,G.H.VEENEMAN,J.H.VANBOOM |
| Literature Reference Citation | REC.TR.CH.P.-B.,109,437(1990) |
| Literature Reference DOI | 10.1002/recl.19901090709 |
| Molecular Weight | 1471.954 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS2547 |