| SpectraBase Compound ID | LpwXDPD70ot |
|---|---|
| InChI | InChI=1S/C30H42O6/c1-26(2,36-34)12-8-9-17-23-21(35-25(17)33)16-30(7)19-15-20(31)24-27(3,4)22(32)11-13-28(24,5)18(19)10-14-29(23,30)6/h8,12,15,17-18,21,23-24,34H,9-11,13-14,16H2,1-7H3/b12-8-/t17-,18+,21+,23-,24+,28-,29+,30-/m1/s1 |
| InChIKey | JOMWQAFTYLTZSF-HRKJUNJMSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C30H42O6 |
| Exact Mass | 498.298139 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78mb95E50HY |
|---|---|
| Name | 25-HYDROPEROXY-TIRUCALLA-7,23-(24)-DIEN-3,6-DION-21,16-OLIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H42O6 |
| InChI | InChI=1S/C30H42O6/c1-26(2,36-34)12-8-9-17-23-21(35-25(17)33)16-30(7)19-15-20(31)24-27(3,4)22(32)11-13-28(24,5)18(19)10-14-29(23,30)6/h8,12,15,17-18,21,23-24,34H,9-11,13-14,16H2,1-7H3/b12-8-/t17-,18+,21+,23-,24+,28-,29+,30-/m1/s1 |
| InChIKey | JOMWQAFTYLTZSF-HRKJUNJMSA-N |
| Literature Reference Author | Q.G.TAN,X.N.LI,H.CHEN,T.FENG,X.H.CAI,X.D.LUO |
| Literature Reference Citation | J.NAT.PROD.,73,693(2010) |
| Literature Reference DOI | 10.1021/np1000472 |
| Molecular Weight | 498.660 g/mol |
| Sample ID | 35346 |
| Solvent | CDCl3 |