| SpectraBase Compound ID | 1jH1ObWQLjq |
|---|---|
| InChI | InChI=1S/C28H35ClO11/c1-11-9-10-18(35-14(4)30)27(8)19(11)23(37-16(6)32)28-13(3)26(34)39-24(28)20(29)12(2)21(40-28)22(36-15(5)31)25(27)38-17(7)33/h13,18-25H,1-2,9-10H2,3-8H3/t13-,18-,19+,20-,21-,22+,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | PXWWTSQKNXBHTK-DOLSFLQMSA-N |
| Mol Weight | 583.0 g/mol |
| Molecular Formula | C28H35ClO11 |
| Exact Mass | 582.18679 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JTuF6GcStC |
|---|---|
| Name | Junceellin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H35ClO11 |
| InChI | InChI=1S/C28H35ClO11/c1-11-9-10-18(35-14(4)30)27(8)19(11)23(37-16(6)32)28-13(3)26(34)39-24(28)20(29)12(2)21(40-28)22(36-15(5)31)25(27)38-17(7)33/h13,18-25H,1-2,9-10H2,3-8H3/t13-,18-,19+,20-,21-,22+,23-,24-,25-,27-,28+/m0/s1 |
| InChIKey | PXWWTSQKNXBHTK-DOLSFLQMSA-N |
| Molecular Weight | 583.030 g/mol |
| SMILES | [C@@]123[C@@](OC([C@@]3(C)[H])=O)([C@@](Cl)(C([C@](O1)([C@@](OC(=O)C)([C@@]([C@@]1([C@@]([C@@]2(OC(=O)C)[H])(C(CC[C@@]1(OC(=O)C)[H])=C)[H])C)(OC(=O)C)[H])[H])[H])=C)[H])[H] |
| SPLASH | splash10-0006-0090210000-fccdfb77beefb02fa5d7 |
| Source of Spectrum | G4-61-1122-1 |
| Wiley ID | 1607454 |