| SpectraBase Compound ID | 2AeOqPz3ApX |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-28-26(13-15-30(24,25)6)29(5)14-12-23(32)16-22(29)17-27(28)33-18-31/h17-18,20-21,23-28,32H,2,7-16H2,1,3-6H3/t20-,21-,23+,24-,25?,26?,27-,28+,29+,30-/m1/s1 |
| InChIKey | IWGCBWATQYHFGO-BHGCVEKGSA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GERoBhpaqDO |
|---|---|
| Name | COLEBrIN-A;7-ALPHA-FORMYLOXY-ClEROSTEROL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-28-26(13-15-30(24,25)6)29(5)14-12-23(32)16-22(29)17-27(28)33-18-31/h17-18,20-21,23-28,32H,2,7-16H2,1,3-6H3/t20-,21-,23+,24-,25?,26?,27-,28+,29+,30-/m1/s1 |
| InChIKey | IWGCBWATQYHFGO-BHGCVEKGSA-N |
| Literature Reference Author | H.YANG,J.WANG,A.J.HOU,Y.P.GUO,Z.W.LIN,H.D.SUN |
| Literature Reference Citation | FITOTERAPIA,71,641(2000) |
| Literature Reference DOI | 10.1016/S0367-326X(00)00223-9 |
| Molecular Weight | 456.709 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN3890 |