![2,5,8,11,14,26,29,32,35,38-Decaoxapentacyclo-[37.2.2.1(15,19).1(21,25).0(18,22)]pentatetraconta-1(41),15(45),16,18,21(44),22,24,39,42-nonaen-20-one](/api/spectrum/6EjBAzB9qsd/structure.png?h=300&w=458 "2,5,8,11,14,26,29,32,35,38-Decaoxapentacyclo-[37.2.2.1(15,19).1(21,25).0(18,22)]pentatetraconta-1(41),15(45),16,18,21(44),22,24,39,42-nonaen-20-one")
| SpectraBase Compound ID | 2xJtIxwRn9C |
|---|---|
| InChI | InChI=1S/C35H42O11/c36-35-33-25-29-5-7-31(33)32-8-6-30(26-34(32)35)46-24-20-42-16-12-38-10-14-40-18-22-44-28-2-1-27(3-4-28)43-21-17-39-13-9-37-11-15-41-19-23-45-29/h1-8,25-26H,9-24H2 |
| InChIKey | YLYWZTTYQQLABE-UHFFFAOYSA-N |
| Mol Weight | 638.7 g/mol |
| Molecular Formula | C35H42O11 |
| Exact Mass | 638.272712 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6EjBAzB9qsd |
|---|---|
| Name | 2,5,8,11,14,26,29,32,35,38-Decaoxapentacyclo-[37.2.2.1(15,19).1(21,25).0(18,22)]pentatetraconta-1(41),15(45),16,18,21(44),22,24,39,42-nonaen-20-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 638.272712161 u |
| Formula | C35H42O11 |
| InChI | InChI=1S/C35H42O11/c36-35-33-25-29-5-7-31(33)32-8-6-30(26-34(32)35)46-24-20-42-16-12-38-10-14-40-18-22-44-28-2-1-27(3-4-28)43-21-17-39-13-9-37-11-15-41-19-23-45-29/h1-8,25-26H,9-24H2 |
| InChIKey | YLYWZTTYQQLABE-UHFFFAOYSA-N |
| Molecular Weight | 638.710 g/mol |
| SMILES | C1=2C(C=3C=C4OCCOCCOCCOCCOC5=CC=C(OCCOCCOCCOCCOC(C2)=CC=C1C3C=C4)C=C5)=O |