| SpectraBase Compound ID | 8PYlWH8hJgV |
|---|---|
| InChI | InChI=1S/C28H46O3/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/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1 |
| InChIKey | ARXHRTZAVQOQEU-BRVLHLJYSA-N |
| Mol Weight | 430.7 g/mol |
| Molecular Formula | C28H46O3 |
| Exact Mass | 430.344695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2YNEXjgQL9 |
|---|---|
| Name | ERGOSTA-7,22-DIEN-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 | C28H46O3 |
| InChI | InChI=1S/C28H46O3/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/h7-8,15,17-20,22-25,29-31H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1 |
| InChIKey | ARXHRTZAVQOQEU-BRVLHLJYSA-N |
| Literature Reference Author | J.ZHAO,Y.MOU,T.SHAN,Y.LI,L.ZHOU,M.WANG,J.WANG |
| Literature Reference Citation | MOLECULES,15,7961(2010) |
| Literature Reference DOI | 10.3390/molecules15117961 |
| Molecular Weight | 430.671 g/mol |
| Sample ID | 72626 |
| Solvent | C5D5N |