| SpectraBase Compound ID | 5KIJiKWed7D |
|---|---|
| InChI | InChI=1S/C29H26O4/c1-32-25-12-14-27-22(18-25)7-2-19-4-10-24(11-5-19)33-29-16-20(6-15-28(29)31)3-8-21-17-23(30)9-13-26(21)27/h4-6,9-18,30-31H,2-3,7-8H2,1H3 |
| InChIKey | PPOHVZSUYIVHKL-UHFFFAOYSA-N |
| Mol Weight | 438.52 g/mol |
| Molecular Formula | C29H26O4 |
| Exact Mass | 438.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Lu9shILgYXh |
|---|---|
| Name | Plagiochins D |
| Alternate Name(s) | 5,6,17,18-Tetrahydro-3-methoxy-7,10-ethano-12,16-methano-16H-dibenz[h,j]oxacyclooctadecin-13,20-diol plagiochin Plagiochin D 19-Methoxy-2-oxapentacyclo[22.2.2.1(3,7).0(10,15).0(16,21)]nonacosa-1(26),3(29),4,6,10,12,14,16,18,20,24,27-dodecaene-4,12-diol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H26O4 |
| InChI | InChI=1S/C29H26O4/c1-32-25-12-14-27-22(18-25)7-2-19-4-10-24(11-5-19)33-29-16-20(6-15-28(29)31)3-8-21-17-23(30)9-13-26(21)27/h4-6,9-18,30-31H,2-3,7-8H2,1H3 |
| InChIKey | PPOHVZSUYIVHKL-UHFFFAOYSA-N |
| Molecular Weight | 438.523 g/mol |
| SMILES | Oc1cc2c(-c3c(CCc4ccc(Oc5cc(ccc5O)CC2)cc4)cc(cc3)OC)cc1 |
| SPLASH | splash10-000i-0050900000-0af422f32c40c117fe28 |
| Source of Spectrum | H1-54-269-4 |
| Wiley ID | 1564223 |