| SpectraBase Compound ID | 8sP0bcraVH1 |
|---|---|
| InChI | InChI=1S/C52H56NO5P/c1-49(2,3)35-28-33-27-34-29-36(50(4,5)6)31-42(52(10,11)12)46(34)56-59(55-45(33)41(30-35)51(7,8)9,54-43-25-17-19-32-20-18-26-53-44(32)43)57-47-39-23-15-13-21-37(39)38-22-14-16-24-40(38)48(47)58-59/h13-26,28-31H,27H2,1-12H3 |
| InChIKey | IRFQAZCBLOKCNW-UHFFFAOYSA-N |
| Mol Weight | 806.0 g/mol |
| Molecular Formula | C52H56NO5P |
| Exact Mass | 805.389611 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JpHatFZGh8d |
|---|---|
| Name | xi(E)(I) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 805.389610900 u |
| Formula | C52H56NO5P |
| InChI | InChI=1S/C52H56NO5P/c1-49(2,3)35-28-33-27-34-29-36(50(4,5)6)31-42(52(10,11)12)46(34)56-59(55-45(33)41(30-35)51(7,8)9,54-43-25-17-19-32-20-18-26-53-44(32)43)57-47-39-23-15-13-21-37(39)38-22-14-16-24-40(38)48(47)58-59/h13-26,28-31H,27H2,1-12H3 |
| InChIKey | IRFQAZCBLOKCNW-UHFFFAOYSA-N |
| Molecular Weight | 805.996 g/mol |
| SMILES | C1=2OP3(OC1=C1C=CC=CC1=C1C=CC=CC21)(OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)CC1=C(O3)C(=CC(=C1)C(C)(C)C)C(C)(C)C)OC1=CC=CC=2C=CC=NC12 |