![2,5,8,11,23,26,29,32-Octaoxapentacyclo-[31.2.2.1(12,16).1(18,22).0(15,19)]nonatriaconta-1(35), 12(39),13,15,18(38),19,21,33,36-nonaen-17-one](/api/spectrum/B0Yg3n1hMQ4/structure.png?h=300&w=458 "2,5,8,11,23,26,29,32-Octaoxapentacyclo-[31.2.2.1(12,16).1(18,22).0(15,19)]nonatriaconta-1(35), 12(39),13,15,18(38),19,21,33,36-nonaen-17-one")
| SpectraBase Compound ID | 8XZeGETjgrd |
|---|---|
| InChI | InChI=1S/C31H34O9/c32-31-29-21-25-5-7-27(29)28-8-6-26(22-30(28)31)40-20-16-36-12-10-34-14-18-38-24-2-1-23(3-4-24)37-17-13-33-9-11-35-15-19-39-25/h1-8,21-22H,9-20H2 |
| InChIKey | VHWIHUBJJUAXHW-UHFFFAOYSA-N |
| Mol Weight | 550.6 g/mol |
| Molecular Formula | C31H34O9 |
| Exact Mass | 550.220283 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0Yg3n1hMQ4 |
|---|---|
| Name | 2,5,8,11,23,26,29,32-Octaoxapentacyclo-[31.2.2.1(12,16).1(18,22).0(15,19)]nonatriaconta-1(35), 12(39),13,15,18(38),19,21,33,36-nonaen-17-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H34O9 |
| InChI | InChI=1S/C31H34O9/c32-31-29-21-25-5-7-27(29)28-8-6-26(22-30(28)31)40-20-16-36-12-10-34-14-18-38-24-2-1-23(3-4-24)37-17-13-33-9-11-35-15-19-39-25/h1-8,21-22H,9-20H2 |
| InChIKey | VHWIHUBJJUAXHW-UHFFFAOYSA-N |
| Molecular Weight | 550.604 g/mol |
| SMILES | c12C(c3cc4OCCOCCOCCOc5ccc(OCCOCCOCCOc(c2)ccc1-c3cc4)cc5)=O |
| SPLASH | splash10-0udi-3010090000-70b424bc2f27af13dc5c |
| Source of Spectrum | O1-45-309-7a |
| Wiley ID | 1669118 |