| SpectraBase Compound ID | KQpkO2iIbWr |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20-,21+,22-,23?,24?,25-,26-,27-,28+/m1/s1 |
| InChIKey | VXOZCESVZIRHCJ-DCZXPOETSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D987WprAfjg |
|---|---|
| Name | 5-ALPHA,8-ALPHA-EPIDIOXY-24(R)-METHYLCHOLESTA-6,22-DIEN-3-BETA-OL |
| Compound Number | 1B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20-,21+,22-,23?,24?,25-,26-,27-,28+/m1/s1 |
| InChIKey | VXOZCESVZIRHCJ-DCZXPOETSA-N |
| Literature Reference Author | J.W.BOK,L.LERMER,J.CHILTON,H.G.KLINGEMAN,G.H.N.TOWERS |
| Literature Reference Citation | PHYTOCHEM.,51,891(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00128-4 |
| Molecular Weight | 428.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN901 |