| SpectraBase Compound ID | B9MEsOv32ix |
|---|---|
| InChI | InChI=1S/C32H50O5/c1-19-21(35)15-22(36)26-28(19,5)10-9-23-30(26,7)13-14-31(8)24-16-27(3,4)11-12-29(24,6)25(37-20(2)34)17-32(23,31)18-33/h19,23-26,33H,9-18H2,1-8H3/t19-,23-,24+,25-,26+,28+,29-,30+,31-,32-/m0/s1 |
| InChIKey | LGNUPYROIAIKBW-JZRAMSOSSA-N |
| Mol Weight | 514.7 g/mol |
| Molecular Formula | C32H50O5 |
| Exact Mass | 514.365825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 241xjArP4a4 |
|---|---|
| Name | KOTALAGENIN-16-ACETATE;16-ACETOXY-26-HYDROXY-1,3-FRIEDELANEDIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O5 |
| InChI | InChI=1S/C32H50O5/c1-19-21(35)15-22(36)26-28(19,5)10-9-23-30(26,7)13-14-31(8)24-16-27(3,4)11-12-29(24,6)25(37-20(2)34)17-32(23,31)18-33/h19,23-26,33H,9-18H2,1-8H3/t19-,23-,24+,25-,26+,28+,29-,30+,31-,32-/m0/s1 |
| InChIKey | LGNUPYROIAIKBW-JZRAMSOSSA-N |
| Literature Reference Author | H.MATSUDA,T.MURAKAMI,K.YASHIRO,J.YAMAHARA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,47,1725(1999) |
| Literature Reference DOI | 10.1248/cpb.47.1725 |
| Molecular Weight | 514.746 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU8449 |