| SpectraBase Compound ID | LVIkxdH4LCg |
|---|---|
| InChI | InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | XMNAPEWXZUEFBD-SBKKQPCTSA-N |
| Mol Weight | 438.6 g/mol |
| Molecular Formula | C28H38O4 |
| Exact Mass | 438.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JAN8LFac3ZY |
|---|---|
| Name | WITHASOMIDIENONE |
| CAS Registry Number | 150417-74-6 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H38O4 |
| InChI | InChI=1S/C28H38O4/c1-16-13-25(32-26(31)21(16)15-29)17(2)22-7-8-23-20-6-5-18-14-19(30)9-11-27(18,3)24(20)10-12-28(22,23)4/h9,11,14,17,20,22-25,29H,5-8,10,12-13,15H2,1-4H3/t17-,20-,22+,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | XMNAPEWXZUEFBD-SBKKQPCTSA-N |
| Literature Reference Author | A.U.RAHMAN,S.ABBAS,D.E-SHAHWAR,S.A.JAMAL,M.I.CHOUDHARY |
| Literature Reference Citation | J.NAT.PROD.,56,1000(1993) |
| Literature Reference DOI | 10.1021/np50097a003 |
| Molecular Weight | 438.607 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWTS136 |