| SpectraBase Compound ID | JlHiq6kYjTL |
|---|---|
| InChI | InChI=1S/C33H52O7/c1-9-30(5)12-10-13-31(6)24(30)11-14-32(7)25(31)17-27(39-21(4)37)33(8)22(18-34)29(20(3)36)23(16-26(32)33)40-28(38)15-19(2)35/h18-19,22-27,29,35H,9-17H2,1-8H3/t19?,22-,23-,24-,25+,26-,27-,29-,30-,31-,32+,33+/m0/s1 |
| InChIKey | CBXFEHUOIQRHBM-SPRMMKEJSA-N |
| Mol Weight | 560.8 g/mol |
| Molecular Formula | C33H52O7 |
| Exact Mass | 560.371304 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E5NtUUrdAmj |
|---|---|
| Name | 12-ALPHA-ACETOXY-16-BETA-(3R'-HYDROXYBUTANOYLOXY)-20,24-DIMETHYL-24-OXOSCALARAN-25-AL |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H52O7 |
| InChI | InChI=1S/C33H52O7/c1-9-30(5)12-10-13-31(6)24(30)11-14-32(7)25(31)17-27(39-21(4)37)33(8)22(18-34)29(20(3)36)23(16-26(32)33)40-28(38)15-19(2)35/h18-19,22-27,29,35H,9-17H2,1-8H3/t19?,22-,23-,24-,25+,26-,27-,29-,30-,31-,32+,33+/m0/s1 |
| InChIKey | CBXFEHUOIQRHBM-SPRMMKEJSA-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 | 560.772 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP686 |