| SpectraBase Compound ID | G73IAP7lvB2 |
|---|---|
| InChI | InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9+,28-8-,29-11+/t34-,35-,37-,42+/m1/s1 |
| InChIKey | IQYUYMLTDIXDMM-IFIDSHHSSA-N |
| Mol Weight | 632.8 g/mol |
| Molecular Formula | C42H48O5 |
| Exact Mass | 632.350175 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9dsb1cyQi8h |
|---|---|
| Name | Longithorone G |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H48O5 |
| InChI | InChI=1S/C42H48O5/c1-26(2)37-14-12-27(3)9-7-15-42(25-43)34-17-29(5)11-13-31-22-40(46)32(23-39(31)45)16-28(4)8-6-10-30(18-34)19-35(42)20-33-21-36(44)24-38(37)41(33)47/h8-9,11,18,21-25,34-35,37H,1,6-7,10,12-17,19-20H2,2-5H3/b27-9+,28-8-,29-11+/t34-,35-,37-,42+/m1/s1 |
| InChIKey | IQYUYMLTDIXDMM-IFIDSHHSSA-N |
| Molecular Weight | 632.841 g/mol |
| SMILES | C=12C(C(C[C@@]3([C@]([C@@]4(C\C(=C\CC5=CC(C(C\C(=C/CCC(=C4)C3)C)=CC5=O)=O)C)[H])(C=O)CC\C=C\(CC[C@@]2(C(=C)C)[H])C)[H])=CC(C1)=O)=O |
| SPLASH | splash10-00di-0009000000-7621c1d2a743964c215c |
| Source of Spectrum | J-62-3818-7 |
| Wiley ID | 1412223 |