| SpectraBase Compound ID | 5YfjlXk94pE |
|---|---|
| InChI | InChI=1S/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22-,23-,28+,29+/m0/s1 |
| InChIKey | JIHNXPGNCSRXCP-PTLFGHRPSA-N |
| Mol Weight | 686.6 g/mol |
| Molecular Formula | C34H44BrN3O7 |
| Exact Mass | 685.236264 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ige6xebAP2k |
|---|---|
| Name | Geodiamolide I |
| Alternate Name(s) | (4R,7R,10S,13S,17R,19S)-7-(3-bromo-4-hydroxybenzyl)-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromo-4-hydroxy-phenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone (4R,7R,10S,13S,15E,17R,19S)-7-[(3-bromanyl-4-oxidanyl-phenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H44BrN3O7 |
| InChI | InChI=1S/C34H44BrN3O7/c1-19-13-20(2)15-22(4)45-31(41)18-28(25-8-10-26(39)11-9-25)37-33(43)29(17-24-7-12-30(40)27(35)16-24)38(6)34(44)23(5)36-32(42)21(3)14-19/h7-13,16,20-23,28-29,39-40H,14-15,17-18H2,1-6H3,(H,36,42)(H,37,43)/b19-13+/t20-,21-,22-,23-,28+,29+/m0/s1 |
| InChIKey | JIHNXPGNCSRXCP-PTLFGHRPSA-N |
| Molecular Weight | 686.644 g/mol |
| SMILES | N1C([C@](C\C(=C\[C@@](C[C@@](OC(C[C@](c2ccc(cc2)O)(NC([C@@](Cc2ccc(c(c2)Br)O)(N(C([C@@]1(C)[H])=O)C)[H])=O)[H])=O)(C)[H])(C)[H])C)(C)[H])=O |
| SPLASH | splash10-03g0-0970408000-09bb755f41aaaa76861f |
| Source of Spectrum | F-54-4456-4 |
| Wiley ID | 806542 |