| SpectraBase Compound ID | KjiuDIf8oYs |
|---|---|
| InChI | InChI=1S/C40H62O5/c1-26(12-17-31-28(3)14-19-33-37(31,5)21-9-23-39(33,7)35(42)43)11-16-30(25-41)27(2)13-18-32-29(4)15-20-34-38(32,6)22-10-24-40(34,8)36(44)45/h16,25-27,31-34H,3-4,9-15,17-24H2,1-2,5-8H3,(H,42,43)(H,44,45)/b30-16-/t26-,27-,31-,32-,33?,34?,37+,38+,39-,40-/m0/s1 |
| InChIKey | ZDANNBYRXLXFSO-JNQIVUQVSA-N |
| Mol Weight | 622.9 g/mol |
| Molecular Formula | C40H62O5 |
| Exact Mass | 622.459725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7wf3vb66Sj |
|---|---|
| Name | IMBrICATOLIC-ACID-(14->15')-IMBrICATOLIC-ACID |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H62O5 |
| InChI | InChI=1S/C40H62O5/c1-26(12-17-31-28(3)14-19-33-37(31,5)21-9-23-39(33,7)35(42)43)11-16-30(25-41)27(2)13-18-32-29(4)15-20-34-38(32,6)22-10-24-40(34,8)36(44)45/h16,25-27,31-34H,3-4,9-15,17-24H2,1-2,5-8H3,(H,42,43)(H,44,45)/b30-16-/t26-,27-,31-,32-,33?,34?,37+,38+,39-,40-/m0/s1 |
| InChIKey | ZDANNBYRXLXFSO-JNQIVUQVSA-N |
| Literature Reference Author | W.C.SU,J.M.FANG,Y.S.CHENG |
| Literature Reference Citation | PHYTOCHEM.,41,255(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00417-3 |
| Molecular Weight | 622.929 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU3866 |