| SpectraBase Compound ID | 5yETLIpZQm0 |
|---|---|
| InChI | InChI=1S/C29H46O2/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-18,20,22-25,27,30H,3,7-16H2,1-2,4-6H3/t18-,20-,22+,23-,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | SKHJNKSCMROGMW-SIVFODNFSA-N |
| Mol Weight | 426.7 g/mol |
| Molecular Formula | C29H46O2 |
| Exact Mass | 426.349781 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gkkt6t2Nnlv |
|---|---|
| Name | 26-METHYLERGOSTA-5,24(28)-DIEN-7-ONE-3-BETA-OL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O2 |
| InChI | InChI=1S/C29H46O2/c1-7-18(2)19(3)8-9-20(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-18,20,22-25,27,30H,3,7-16H2,1-2,4-6H3/t18-,20-,22+,23-,24?,25?,27?,28+,29-/m1/s1 |
| InChIKey | SKHJNKSCMROGMW-SIVFODNFSA-N |
| Literature Reference Author | W.H.ZHANG,C.T.CHE |
| Literature Reference Citation | J.NAT.PROD.,64,1489(2001) |
| Literature Reference DOI | 10.1021/np0100789 |
| Molecular Weight | 426.683 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI2356 |