| SpectraBase Compound ID | EAj8kVC5AVz |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-19(10-8-12-21(3)14-16-26(30)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)22(4)17-25(23)29/h9,12-13,17-18,26,30-31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+/t26-/m0/s1 |
| InChIKey | BIWLGTXOHXWEFP-WJJHDEEPSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWGA5KDpUsk |
|---|---|
| Name | CAPILLOQUINONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-19(10-8-12-21(3)14-16-26(30)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)22(4)17-25(23)29/h9,12-13,17-18,26,30-31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+/t26-/m0/s1 |
| InChIKey | BIWLGTXOHXWEFP-WJJHDEEPSA-N |
| Literature Reference Author | S.Y.CHENG,K.J.HUANG,S.K.WANG,Z.H.WEN,P.W.CHEN,C.Y.DUH |
| Literature Reference Citation | J.NAT.PROD.,73,771(2010) |
| Literature Reference DOI | 10.1021/np9008078 |
| Molecular Weight | 428.612 g/mol |
| Sample ID | 35398 |
| Solvent | CDCl3 |