| SpectraBase Compound ID | ImZ5gSfMiy |
|---|---|
| InChI | InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,12,15,17-20,22-23,25,29-31H,9-11,13-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,25+,26+,27+,28-/m0/s1 |
| InChIKey | FMEOHNKBCMQEEH-IGHLFLGXSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C28H44O3 |
| Exact Mass | 428.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JyU2DfqPlS |
|---|---|
| Name | (22E,24R)-ERGOSTA-7,9(11),22-TRIENE-3-BETA,5-ALPHA,6-BETA-TRIOL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H44O3 |
| InChI | InChI=1S/C28H44O3/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(30)28(31)16-20(29)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,12,15,17-20,22-23,25,29-31H,9-11,13-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,25+,26+,27+,28-/m0/s1 |
| InChIKey | FMEOHNKBCMQEEH-IGHLFLGXSA-N |
| Literature Reference Author | T.ISHIZUKA,Y.YAOITA,M.KIKUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,45,1756(1997) |
| Literature Reference DOI | 10.1248/cpb.45.1756 |
| Molecular Weight | 428.656 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN28953 |