| SpectraBase Compound ID | AmNavxgAtAX |
|---|---|
| InChI | InChI=1S/C34H52O6/c1-9-29(37)39-21(3)18-30(38)40-28-19-27-32(6)16-11-15-31(5,10-2)25(32)14-17-33(27,7)26-13-12-23(22(4)36)24(20-35)34(26,28)8/h12,20-21,24-28H,9-11,13-19H2,1-8H3/t21?,24-,25-,26-,27+,28-,31-,32-,33-,34+/m0/s1 |
| InChIKey | OMUJSXZIRGZVIK-ZSHSKJRFSA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C34H52O6 |
| Exact Mass | 556.376389 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7OkOXT17aMY |
|---|---|
| Name | 12-ALPHA-(3'-PROPANOYLOXYBUTANOYLOXY)-20,24-DIMETHYL-24-OXOSCALARA-16-EN-25-AL |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H52O6 |
| InChI | InChI=1S/C34H52O6/c1-9-29(37)39-21(3)18-30(38)40-28-19-27-32(6)16-11-15-31(5,10-2)25(32)14-17-33(27,7)26-13-12-23(22(4)36)24(20-35)34(26,28)8/h12,20-21,24-28H,9-11,13-19H2,1-8H3/t21?,24-,25-,26-,27+,28-,31-,32-,33-,34+/m0/s1 |
| InChIKey | OMUJSXZIRGZVIK-ZSHSKJRFSA-N |
| Literature Reference Author | T.JAHN,G.M.KOENIG,A.D.WRIGHT |
| Literature Reference Citation | J.NAT.PROD.,62,375(1999) |
| Literature Reference DOI | 10.1021/np980389s |
| Molecular Weight | 556.783 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP688 |