![(2Z)-2-(1'-Methyl-1'-phenylethyl)cyclohexyl {hexahydro-5-[(tetrahydropyran-2'-yl)oxy]-4-[(3"-(tetrahydropyran-2"-yl)oxy]-1"-octenyl]-2(1H)-pentalenylidene}acetate](/api/spectrum/AX7IvIiZbjV/structure.png?h=300&w=458 "(2Z)-2-(1'-Methyl-1'-phenylethyl)cyclohexyl {hexahydro-5-[(tetrahydropyran-2'-yl)oxy]-4-[(3\"-(tetrahydropyran-2\"-yl)oxy]-1\"-octenyl]-2(1H)-pentalenylidene}acetate")
| SpectraBase Compound ID | 1km3D3gHYF0 |
|---|---|
| InChI | InChI=1S/C43H64O6/c1-4-5-7-18-34(47-41-21-12-14-25-45-41)23-24-35-36-28-31(27-32(36)30-39(35)49-42-22-13-15-26-46-42)29-40(44)48-38-20-11-10-19-37(38)43(2,3)33-16-8-6-9-17-33/h6,8-9,16-17,23-24,29,32,34-39,41-42H,4-5,7,10-15,18-22,25-28,30H2,1-3H3/b24-23+,31-29- |
| InChIKey | CVQJDWVQSYAPIB-ORJIVBFTSA-N |
| Mol Weight | 677.0 g/mol |
| Molecular Formula | C43H64O6 |
| Exact Mass | 676.47029 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AX7IvIiZbjV |
|---|---|
| Name | (2Z)-2-(1'-Methyl-1'-phenylethyl)cyclohexyl {hexahydro-5-[(tetrahydropyran-2'-yl)oxy]-4-[(3"-(tetrahydropyran-2"-yl)oxy]-1"-octenyl]-2(1H)-pentalenylidene}acetate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C43H64O6 |
| InChI | InChI=1S/C43H64O6/c1-4-5-7-18-34(47-41-21-12-14-25-45-41)23-24-35-36-28-31(27-32(36)30-39(35)49-42-22-13-15-26-46-42)29-40(44)48-38-20-11-10-19-37(38)43(2,3)33-16-8-6-9-17-33/h6,8-9,16-17,23-24,29,32,34-39,41-42H,4-5,7,10-15,18-22,25-28,30H2,1-3H3/b24-23+,31-29- |
| InChIKey | CVQJDWVQSYAPIB-ORJIVBFTSA-N |
| Molecular Weight | 676.979 g/mol |
| SMILES | C12C(C(OC3OCCCC3)CC1C\C(C2)=C\C(OC1C(C(c2ccccc2)(C)C)CCCC1)=O)\C=C\C(OC1OCCCC1)CCCCC |
| SPLASH | splash10-00ku-8790000000-c5531f834fcca5bdc07e |
| Source of Spectrum | U1-1998-822-61 |
| Wiley ID | 751249 |