![2H-11,14-Epoxy-13,39-metheno-1,11-nonanocycloheptacos[d][1,6]oxaazacy clohexadecine, 3,4,5,6,7,8,9,10,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,3 2,33,34,35,36,37,38-dotriacontahydro-](/api/spectrum/8q9u8TewJvx/structure.png?h=300&w=458 "2H-11,14-Epoxy-13,39-metheno-1,11-nonanocycloheptacos[d][1,6]oxaazacy clohexadecine, 3,4,5,6,7,8,9,10,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,3 2,33,34,35,36,37,38-dotriacontahydro-")
| SpectraBase Compound ID | IHJQgxXSd5u |
|---|---|
| InChI | InChI=1S/C49H85NO2/c1-2-4-6-8-10-12-14-16-20-26-32-38-45-47-44(37-31-25-19-15-13-11-9-7-5-3-1)43-46-48(45)52-49(51-46)39-33-27-21-17-23-29-35-41-50(47)42-36-30-24-18-22-28-34-40-49/h43H,1-42H2 |
| InChIKey | KEYXZAWODONQCT-UHFFFAOYSA-N |
| Mol Weight | 720.2 g/mol |
| Molecular Formula | C49H85NO2 |
| Exact Mass | 719.658031 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8q9u8TewJvx |
|---|---|
| Name | 2H-11,14-Epoxy-13,39-metheno-1,11-nonanocycloheptacos[d][1,6]oxaazacy clohexadecine, 3,4,5,6,7,8,9,10,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,3 2,33,34,35,36,37,38-dotriacontahydro- |
| CAS Registry Number | 86044-96-4 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C49H85NO2 |
| InChI | InChI=1S/C49H85NO2/c1-2-4-6-8-10-12-14-16-20-26-32-38-45-47-44(37-31-25-19-15-13-11-9-7-5-3-1)43-46-48(45)52-49(51-46)39-33-27-21-17-23-29-35-41-50(47)42-36-30-24-18-22-28-34-40-49/h43H,1-42H2 |
| InChIKey | KEYXZAWODONQCT-UHFFFAOYSA-N |
| Molecular Weight | 720.224 g/mol |
| SMILES | c12c3c4OC5(O3)CCCCCCCCCN(c1c(c4)CCCCCCCCCCCCCCCCCCCCCCCC2)CCCCCCCCC5 |
| SPLASH | splash10-00xr-0000000900-1bc49734a5392dab6463 |
| Source of Spectrum | K-116-1871-0 |
| Synonyms | 2,51-Dioxa-32-azapentacyclo[30.9.9.1(1,4).1(3,30).0(5,31)]dopentaconta-3,5(31),30(52)-triene 2,52-dioxa-33-azapentacyclo[31.9.9.1(1,4).0(3,31).0(6,32)]dopentaconta-3,5,31-triene |
| Wiley ID | 1415608 |