| SpectraBase Compound ID | FVRNemqFOdv |
|---|---|
| InChI | InChI=1S/C59H71N10O14PS/c1-36(2)69(37(3)4)84(80-29-13-28-60)83-49-31-53(68-34-39(6)55(72)65-58(68)74)81-50(49)32-61-56(66-85(75,76)47-26-20-44(21-27-47)62-40(7)70)63-48-30-52(67-33-38(5)54(71)64-57(67)73)82-51(48)35-79-59(41-14-11-10-12-15-41,42-16-22-45(77-8)23-17-42)43-18-24-46(78-9)25-19-43/h10-12,14-27,33-34,36-37,48-53H,13,29-32,35H2,1-9H3,(H,62,70)(H2,61,63,66)(H,64,71,73)(H,65,72,74)/t48-,49-,50+,51+,52+,53+,84?/m1/s1 |
| InChIKey | BPUIWQHTJFUETR-JZQSSRFGSA-N |
| Mol Weight | 1207.3 g/mol |
| Molecular Formula | C59H71N10O14PS |
| Exact Mass | 1206.460955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HrD7ikINJAl |
|---|---|
| Name | Isomer-#1 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1206.460955164 u |
| Formula | C59H71N10O14PS |
| InChI | InChI=1S/C59H71N10O14PS/c1-36(2)69(37(3)4)84(80-29-13-28-60)83-49-31-53(68-34-39(6)55(72)65-58(68)74)81-50(49)32-61-56(66-85(75,76)47-26-20-44(21-27-47)62-40(7)70)63-48-30-52(67-33-38(5)54(71)64-57(67)73)82-51(48)35-79-59(41-14-11-10-12-15-41,42-16-22-45(77-8)23-17-42)43-18-24-46(78-9)25-19-43/h10-12,14-27,33-34,36-37,48-53H,13,29-32,35H2,1-9H3,(H,62,70)(H2,61,63,66)(H,64,71,73)(H,65,72,74)/t48-,49-,50+,51+,52+,53+,84?/m1/s1 |
| InChIKey | BPUIWQHTJFUETR-JZQSSRFGSA-N |
| Molecular Weight | 1207.307 g/mol |
| SMILES | [C@]1(N2C(=O)NC(=O)C(C)=C2)(C[C@@](OP(OCCC#N)N(C(C)C)C(C)C)([C@@](O1)(CN\C(N[C@@]1(C[C@@](N2C(=O)NC(=O)C(C)=C2)(O[C@]1(COC(C1=CC=CC=C1)(C1=CC=C(OC)C=C1)C1=CC=C(OC)C=C1)[H])[H])[H])=N\S(=O)(=O)C1=CC=C(NC(=O)C)C=C1)[H])[H])[H] |