| SpectraBase Compound ID | D7m66EBM6kH |
|---|---|
| InChI | InChI=1S/C48H66N2O14/c1-25(2)41-43(55)50(20-34-40-36(62-46(58)30(8)22-52)16-28(6)12-10-14-32(24-54)18-38(40)64-48(34)60)42(26(3)4)44(56)49(41)19-33-39-35(61-45(57)29(7)21-51)15-27(5)11-9-13-31(23-53)17-37(39)63-47(33)59/h11-12,17-18,25-26,33-42,51-54H,7-10,13-16,19-24H2,1-6H3/b27-11+,28-12+,31-17-,32-18-/t33-,34-,35-,36-,37+,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | DABVZVONEVZLKC-IIEOLLOZSA-N |
| Mol Weight | 895.1 g/mol |
| Molecular Formula | C48H66N2O14 |
| Exact Mass | 894.451405 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CcGVgmPClOC |
|---|---|
| Name | Germacranolide-valine dimer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C48H66N2O14 |
| InChI | InChI=1S/C48H66N2O14/c1-25(2)41-43(55)50(20-34-40-36(62-46(58)30(8)22-52)16-28(6)12-10-14-32(24-54)18-38(40)64-48(34)60)42(26(3)4)44(56)49(41)19-33-39-35(61-45(57)29(7)21-51)15-27(5)11-9-13-31(23-53)17-37(39)63-47(33)59/h11-12,17-18,25-26,33-42,51-54H,7-10,13-16,19-24H2,1-6H3/b27-11+,28-12+,31-17-,32-18-/t33-,34-,35-,36-,37+,38+,39+,40+,41-,42-/m0/s1 |
| InChIKey | DABVZVONEVZLKC-IIEOLLOZSA-N |
| Molecular Weight | 895.056 g/mol |
| SMILES | OCC(C(O[C@@]1([C@@]2([C@](OC([C@]2(CN2[C@](C(N(C[C@]3([C@]4([C@@](\C=C/(CO)CC\C=C\(C[C@@]4(OC(C(=C)CO)=O)[H])C)(OC3=O)[H])[H])[H])[C@](C2=O)(C(C)C)[H])=O)(C(C)C)[H])[H])=O)(\C=C\(CC\C=C\(C1)C)CO)[H])[H])[H])=O)=C |
| SPLASH | splash10-00dr-9000000000-b9a8205eb09d163ac138 |
| Source of Spectrum | AT-32-5194-1 |
| Wiley ID | 836100 |