| SpectraBase Compound ID | 8kl1WRI3vcv |
|---|---|
| InChI | InChI=1S/C33H31IO4/c1-20-8-15-30(29(34)18-20)38-32(36)28-14-13-27-26-11-9-22-19-23(37-31(35)21-6-4-3-5-7-21)10-12-24(22)25(26)16-17-33(27,28)2/h3-8,10,12,14-15,18-19,25-27H,9,11,13,16-17H2,1-2H3/t25?,26?,27?,33-/m0/s1 |
| InChIKey | YOXQBLUYFNINGC-YXPOHELLSA-N |
| Mol Weight | 618.5 g/mol |
| Molecular Formula | C33H31IO4 |
| Exact Mass | 618.126704 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B0vqjKwnNuy |
|---|---|
| Name | 2-Iodo-4-methylphenyl 6-benzoyloxy-10a-methyoctahydrocyclopentaphenanthrene-1-carboxylate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H31IO4 |
| InChI | InChI=1S/C33H31IO4/c1-20-8-15-30(29(34)18-20)38-32(36)28-14-13-27-26-11-9-22-19-23(37-31(35)21-6-4-3-5-7-21)10-12-24(22)25(26)16-17-33(27,28)2/h3-8,10,12,14-15,18-19,25-27H,9,11,13,16-17H2,1-2H3/t25?,26?,27?,33-/m0/s1 |
| InChIKey | YOXQBLUYFNINGC-YXPOHELLSA-N |
| Molecular Weight | 618.511 g/mol |
| SMILES | [C@]12(C(C(Oc3c(cc(cc3)C)I)=O)=CCC1C1CCc3c(C1CC2)ccc(OC(=O)c1ccccc1)c3)C |
| SPLASH | splash10-0a4r-0905000000-5da3a40363b087269a33 |
| Source of Spectrum | SO-0-834-3 |
| Wiley ID | 1545760 |