| SpectraBase Compound ID | KRN6x17AZ6o |
|---|---|
| InChI | InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24?,27+,28-,29-,30+/m1/s1 |
| InChIKey | RQBNSDSKUAGBOI-PLJHWBKBSA-N |
| Mol Weight | 460.7 g/mol |
| Molecular Formula | C30H52O3 |
| Exact Mass | 460.391646 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vtkx43cxjx |
|---|---|
| Name | CABRALEADIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H52O3 |
| InChI | InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21+,22-,23-,24?,27+,28-,29-,30+/m1/s1 |
| InChIKey | RQBNSDSKUAGBOI-PLJHWBKBSA-N |
| Literature Reference Author | N.NAKAMURA,S.KOJIMA,Y.A.LIM,M.R.MESELHY,M.HATTORI,M.P.GUPTA, M.CORREA |
| Literature Reference Citation | PHYTOCHEM.,46,1139(1997) |
| Literature Reference DOI | 10.1016/s0031-9422(97)00407-x |
| Molecular Weight | 460.741 g/mol |
| Sample ID | 65347 |
| Solvent | CDCl3 |