![9,12:25,28-Dietheno-5H,21H-dipyrrolo[1,2-e:1',2'-s][1,15,5,8,19,22]dioxatetraazacyclooctacosine-5,16,21,32(13H,29H)-tetrone, 1,2,3,6,7,14,15,16a,17,18,19,22,23,30,31,32a-hexadecahydro-, [16aS-(16aR*,32aR*)]-](/api/spectrum/5FSQFI5BfCK/structure.png?h=300&w=458 "9,12:25,28-Dietheno-5H,21H-dipyrrolo[1,2-e:1',2'-s][1,15,5,8,19,22]dioxatetraazacyclooctacosine-5,16,21,32(13H,29H)-tetrone, 1,2,3,6,7,14,15,16a,17,18,19,22,23,30,31,32a-hexadecahydro-, [16aS-(16aR*,32aR*)]-")
| SpectraBase Compound ID | AVFmrpfBfHZ |
|---|---|
| InChI | InChI=1S/C32H40N4O6/c37-29-15-21-41-25-9-7-24(8-10-25)14-18-34-32(40)28-4-2-20-36(28)30(38)16-22-42-26-11-5-23(6-12-26)13-17-33-31(39)27-3-1-19-35(27)29/h5-12,27-28H,1-4,13-22H2,(H,33,39)(H,34,40) |
| InChIKey | FPYKBUYTKKPIDX-UHFFFAOYSA-N |
| Mol Weight | 576.7 g/mol |
| Molecular Formula | C32H40N4O6 |
| Exact Mass | 576.294785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5FSQFI5BfCK |
|---|---|
| Name | 9,12:25,28-Dietheno-5H,21H-dipyrrolo[1,2-E:1',2'-S][1,15,5,8,19,22]dioxatetraazacyclooctacosine-5,16,21,32(13H,29H)-tetrone, 1,2,3,6,7,14,15,16A,17,18,19,22,23,30,31,32A-hexadecahydro-, [16AS-(16AR*,32AR*)]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 576.294785018 u |
| Formula | C32H40N4O6 |
| InChI | InChI=1S/C32H40N4O6/c37-29-15-21-41-25-9-7-24(8-10-25)14-18-34-32(40)28-4-2-20-36(28)30(38)16-22-42-26-11-5-23(6-12-26)13-17-33-31(39)27-3-1-19-35(27)29/h5-12,27-28H,1-4,13-22H2,(H,33,39)(H,34,40) |
| InChIKey | FPYKBUYTKKPIDX-UHFFFAOYSA-N |
| Molecular Weight | 576.694 g/mol |
| SMILES | C1(N2C(C(NCCC=3C=CC(OCCC(N4CCCC4C(NCCC=4C=CC(OCC1)=CC4)=O)=O)=CC3)=O)CCC2)=O |