| SpectraBase Spectrum ID |
GBsWIs3mfaC |
| Name |
#¹¹b;(18R,19R)-18-[(2-R)-1,4-Dioxaspiro-[4.5]-decanyl]-19-fluoro-4-methyl-17-oxa-4,14,21-triazahexacyclo-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-nonacosa-1(28 |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
583.248249365 u |
| Formula |
C34H34FN3O5 |
| InChI |
InChI=1S/C34H34FN3O5/c1-36-32(39)29-23-17-37(26-11-5-3-9-21(23)26)15-16-41-31(28-20-42-34(43-28)13-7-2-8-14-34)25(35)19-38-18-24(30(29)33(36)40)22-10-4-6-12-27(22)38/h3-6,9-12,17-18,25,28,31H,2,7-8,13-16,19-20H2,1H3/t25-,28-,31+/m1/s1 |
| InChIKey |
KUEDZIFTCCMSEI-DERQMEARSA-N |
| Molecular Weight |
583.660 g/mol |
| SMILES |
C12(OC[C@@](O2)([C@@]2([C@](F)(CN3C=C(C4=CC=CC=C34)C3=C(C(=O)N(C3=O)C)C3=CN(C=4C3=CC=CC4)CCO2)[H])[H])[H])CCCCC1 |
![#11B;(18R,19R)-18-[(2-R)-1,4-DIOXASPIRO-[4.5]-DECANYL]-19-FLUORO-4-METHYL-17-OXA-4,14,21-TRIAZAHEXACYCLO-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-NONACOSA-1(28](/api/spectrum/GBsWIs3mfaC/structure.png?h=300&w=458 "#11B;(18R,19R)-18-[(2-R)-1,4-DIOXASPIRO-[4.5]-DECANYL]-19-FLUORO-4-METHYL-17-OXA-4,14,21-TRIAZAHEXACYCLO-[19.6.1.1(7,14).0(2,6).0(8,13).0(22,27)]-NONACOSA-1(28")
