| SpectraBase Compound ID | bgdNfYkfYI |
|---|---|
| InChI | InChI=1S/C27H46O3/c1-16(2)6-11-23(28)17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18-,19+,20-,21-,23-,24-,25+,26+,27+/m0/s1 |
| InChIKey | ZSNZJJYKGGJXRT-FUWIRPTLSA-N |
| Mol Weight | 418.7 g/mol |
| Molecular Formula | C27H46O3 |
| Exact Mass | 418.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ipu59uaSwGm |
|---|---|
| Name | CHOLEST-5-ENE-3-BETA,4-BETA,22(R)-TRIOL |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H46O3 |
| InChI | InChI=1S/C27H46O3/c1-16(2)6-11-23(28)17(3)19-9-10-20-18-7-8-22-25(30)24(29)13-15-27(22,5)21(18)12-14-26(19,20)4/h8,16-21,23-25,28-30H,6-7,9-15H2,1-5H3/t17-,18-,19+,20-,21-,23-,24-,25+,26+,27+/m0/s1 |
| InChIKey | ZSNZJJYKGGJXRT-FUWIRPTLSA-N |
| Literature Reference Author | S.WEBER,J.PURIPATTANAVONG,V.BRECHT,A.W.FRAHM |
| Literature Reference Citation | J.NAT.PROD.,63,636(2000) |
| Literature Reference DOI | 10.1021/np9905923 |
| Molecular Weight | 418.660 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS25107 |