| SpectraBase Compound ID | Bt5zc3JmLez |
|---|---|
| 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-UYHXOISSSA-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 | Btg9C2OOcan |
|---|---|
| Name | (22S)-CHOLEST-5-ENE-1-BETA,3-BETA,16-BETA,22-TETRAOL |
| Compound Number | 8A |
| Copyright | Copyright © 2016-2025 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-UYHXOISSSA-N |
| Literature Reference Author | Y.MIMAKI,K.KAWASHIMA,T.KANMOTO,Y.SASHIDA |
| Literature Reference Citation | PHYTOCHEM.,34,799(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85362-U |
| Molecular Weight | 434.660 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN6687 |