| SpectraBase Compound ID | BeO8zVC036b |
|---|---|
| InChI | InChI=1S/C33H48O5/c1-21(2)9-8-10-22(20-38-29(37)19-28(35)36)23-13-17-33(7)25-11-12-26-30(3,4)27(34)15-16-31(26,5)24(25)14-18-32(23,33)6/h9,11,14,22-23,26H,8,10,12-13,15-20H2,1-7H3,(H,35,36)/t22-,23+,26+,31-,32-,33+/m1/s1 |
| InChIKey | SXYOHWHWZQDZED-GUBGVWTFSA-N |
| Mol Weight | 524.7 g/mol |
| Molecular Formula | C33H48O5 |
| Exact Mass | 524.350175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 61IryUnSbLy |
|---|---|
| Name | FOMITOPSIC-ACID-B;21-(CARBOXYACETOXY)-LANOSTA-7,9(11),24-TRIEN-3-ONE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H48O5 |
| InChI | InChI=1S/C33H48O5/c1-21(2)9-8-10-22(20-38-29(37)19-28(35)36)23-13-17-33(7)25-11-12-26-30(3,4)27(34)15-16-31(26,5)24(25)14-18-32(23,33)6/h9,11,14,22-23,26H,8,10,12-13,15-20H2,1-7H3,(H,35,36)/t22-,23+,26+,31-,32-,33+/m1/s1 |
| InChIKey | SXYOHWHWZQDZED-GUBGVWTFSA-N |
| Literature Reference Author | J.ROESECKE,W.A.KOENIG |
| Literature Reference Citation | PHYTOCHEM.,52,1621(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00349-0 |
| Molecular Weight | 524.741 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN289 |