| SpectraBase Compound ID | HjrF1KhPrzr |
|---|---|
| InChI | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | KQJSQWZMSAGSHN-JJWQIEBTSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C29H38O4 |
| Exact Mass | 450.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4JxRIST2H5G |
|---|---|
| Name | CELASTROL |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38O4 |
| InChI | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | KQJSQWZMSAGSHN-JJWQIEBTSA-N |
| Literature Reference Author | O.NGASSAPA,D.D.SOEJARTO,J.M.PEZZUTO,N.R.FARNSWORTH |
| Literature Reference Citation | J.NAT.PROD.,57,1(1994) |
| Literature Reference DOI | 10.1021/np50103a001 |
| Molecular Weight | 450.618 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS17803 |