| SpectraBase Compound ID | BlFCHwVyR3y |
|---|---|
| InChI | InChI=1S/C33H58N4O8/c1-16(2)14-22-32(42)44-26(20(9)10)30(40)36-25(19(7)8)31(41)37(13)23(15-17(3)4)33(43)45-27(21(11)12)29(39)35-24(18(5)6)28(38)34-22/h16-27H,14-15H2,1-13H3,(H,34,38)(H,35,39)(H,36,40)/t22-,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | VDFMWZBFYMHHDB-ZPJGBUAPSA-N |
| Mol Weight | 638.8 g/mol |
| Molecular Formula | C33H58N4O8 |
| Exact Mass | 638.425465 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 96BqOCN9GQk |
|---|---|
| Name | Sporidesmolide I |
| CAS Registry Number | 2900-38-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H58N4O8 |
| InChI | InChI=1S/C33H58N4O8/c1-16(2)14-22-32(42)44-26(20(9)10)30(40)36-25(19(7)8)31(41)37(13)23(15-17(3)4)33(43)45-27(21(11)12)29(39)35-24(18(5)6)28(38)34-22/h16-27H,14-15H2,1-13H3,(H,34,38)(H,35,39)(H,36,40)/t22-,23+,24-,25+,26+,27+/m1/s1 |
| InChIKey | VDFMWZBFYMHHDB-ZPJGBUAPSA-N |
| Molecular Weight | 638.847 g/mol |
| SMILES | N1C([C@@](OC([C@@](CC(C)C)(NC([C@](NC([C@@](OC([C@@](N(C([C@@]1(C(C)C)[H])=O)C)(CC(C)C)[H])=O)(C(C)C)[H])=O)(C(C)C)[H])=O)[H])=O)(C(C)C)[H])=O |
| SPLASH | splash10-0f79-9843212000-b0020da40ce4e4b790c3 |
| Source of Spectrum | AT-64-2088-11 |
| Synonyms | 3,12-diisobutyl-6,9,15-triisopropyl-4,19-dimethyl-1,10-dioxa-4,7,13,16-tetrazacycloeicosane-2,5,8,11,14,17-triquinone 3,12-diisobutyl-6,9,15-triisopropyl-4,19-dimethyl-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone 4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacycloeicosane-2,5,8,11,14,17-hexone 4,19-dimethyl-3,12-bis(2-methylpropyl)-6,9,15-tri(propan-2-yl)-1,10-dioxa-4,7,13,16-tetrazacycloicosane-2,5,8,11,14,17-hexone |
| Wiley ID | 1412487 |