| SpectraBase Compound ID | AVRaITXksTL |
|---|---|
| InChI | InChI=1S/C29H48O3/c1-19(9-8-15-26(3,4)32-31)21-12-17-29(7)24-11-10-22-20(2)25(30)14-16-27(22,5)23(24)13-18-28(21,29)6/h8,15,19-22,25,30-31H,9-14,16-18H2,1-7H3/b15-8+/t19-,20+,21-,22+,25+,27+,28-,29+/m1/s1 |
| InChIKey | ZZPZKMYPOIZSRW-HRRPNDSYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C29H48O3 |
| Exact Mass | 444.360345 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JSpZdgvm1L1 |
|---|---|
| Name | 25-HYDROPEROXY-4-ALPHA,14-ALPHA-DIMETHYLCHOLESTA-8,23-DIEN-3-BETA-OL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H48O3 |
| InChI | InChI=1S/C29H48O3/c1-19(9-8-15-26(3,4)32-31)21-12-17-29(7)24-11-10-22-20(2)25(30)14-16-27(22,5)23(24)13-18-28(21,29)6/h8,15,19-22,25,30-31H,9-14,16-18H2,1-7H3/b15-8+/t19-,20+,21-,22+,25+,27+,28-,29+/m1/s1 |
| InChIKey | ZZPZKMYPOIZSRW-HRRPNDSYSA-N |
| Literature Reference Author | T.KATO,B.FREI,M.HEINRICH,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,41,1191(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00765-2 |
| Molecular Weight | 444.698 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4319 |