| SpectraBase Compound ID | BR05iQVHTTX |
|---|---|
| InChI | InChI=1S/C27H46O4/c1-15(2)6-9-22(29)16(3)25-23(30)14-21-19-8-7-17-12-18(28)13-24(31)27(17,5)20(19)10-11-26(21,25)4/h7,15-16,18-25,28-31H,6,8-14H2,1-5H3/t16-,18-,19?,20?,21?,22-,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | KPXZHYLGRFOLAD-LMDBKVOLSA-N |
| Mol Weight | 434.7 g/mol |
| Molecular Formula | C27H46O4 |
| Exact Mass | 434.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4uharpD3Qmq |
|---|---|
| Name | CHOLEST-5-ENE-1(R*),3(R*),16(S*),22(S*)-TETRAOL |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O4 |
| InChI | InChI=1S/C27H46O4/c1-15(2)6-9-22(29)16(3)25-23(30)14-21-19-8-7-17-12-18(28)13-24(31)27(17,5)20(19)10-11-26(21,25)4/h7,15-16,18-25,28-31H,6,8-14H2,1-5H3/t16-,18-,19?,20?,21?,22-,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | KPXZHYLGRFOLAD-LMDBKVOLSA-N |
| Literature Reference Author | H.ACHENBACH,H.HUEBNER,M.REITER |
| Literature Reference Citation | PHYTOCHEM.,41,907(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00622-2 |
| Molecular Weight | 434.660 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4144 |