| SpectraBase Compound ID | yAQlpBP8tU |
|---|---|
| InChI | InChI=1S/C28H22O4/c29-21-8-10-22-20(16-21)7-3-18-6-12-27(31)25(14-18)24-13-17(5-11-26(24)30)1-2-19-4-9-23(22)28(32)15-19/h1-2,4-6,8-16,29-32H,3,7H2/b2-1- |
| InChIKey | AANIEYOTXCALEB-UPHRSURJSA-N |
| Mol Weight | 422.48 g/mol |
| Molecular Formula | C28H22O4 |
| Exact Mass | 422.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | El3HovURGG7 |
|---|---|
| Name | Isoplagiochin C |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H22O4 |
| InChI | InChI=1S/C28H22O4/c29-21-8-10-22-20(16-21)7-3-18-6-12-27(31)25(14-18)24-13-17(5-11-26(24)30)1-2-19-4-9-23(22)28(32)15-19/h1-2,4-6,8-16,29-32H,3,7H2/b2-1- |
| InChIKey | AANIEYOTXCALEB-UPHRSURJSA-N |
| Molecular Weight | 422.480 g/mol |
| SMILES | Oc1c2-c3c(CCc4ccc(c(-c5c(ccc(\C=C/c(c1)cc2)c5)O)c4)O)cc(cc3)O |
| SPLASH | splash10-00dl-4010900000-d230ee773098ae62254e |
| Source of Spectrum | QC-24-580-1 |
| Synonyms | Pentacyclo[20.2.2.1(10,14).1(15,19).0(2,7)]octacosa-1(25),2,4,6,10(28),11,13,15(27),16,18,20,22(26),23-tridecaene-5,13,16,24-tetrol (P)-isoplagiochin C (PA)-1 |
| Wiley ID | 1736712 |