| SpectraBase Compound ID | 7SOm3SiItTv |
|---|---|
| InChI | InChI=1S/C28H38O5S/c1-18(2)20-10-13-23-22(16-20)24(33-34(30,31)21-11-8-19(3)9-12-21)17-25-27(23,4)14-7-15-28(25,5)26(29)32-6/h8-9,11-12,16,18,23,25H,7,10,13-15,17H2,1-6H3/t23-,25+,27+,28+/m0/s1 |
| InChIKey | ALYRFPLSCHLOMS-LPWJOBEDSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C28H38O5S |
| Exact Mass | 486.243995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E1cwqAft20J |
|---|---|
| Name | Methyl decahydro-9-[(toluenesulsonyl)oxy]-1,4a-dimethyl-7-(1'-methylethyl)phenanthrene-1-carboxylate |
| Alternate Name(s) | (1R,4aR,4bR,10aR)-1,4a-dimethyl-9-(4-methylphenyl)sulfonyloxy-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid methyl ester methyl (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-9-(p-tolylsulfonyloxy)-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate methyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-9-(4-methylphenyl)sulfonyloxy-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H38O5S |
| InChI | InChI=1S/C28H38O5S/c1-18(2)20-10-13-23-22(16-20)24(33-34(30,31)21-11-8-19(3)9-12-21)17-25-27(23,4)14-7-15-28(25,5)26(29)32-6/h8-9,11-12,16,18,23,25H,7,10,13-15,17H2,1-6H3/t23-,25+,27+,28+/m0/s1 |
| InChIKey | ALYRFPLSCHLOMS-LPWJOBEDSA-N |
| Molecular Weight | 486.667 g/mol |
| SMILES | C1(OS(c2ccc(cc2)C)(=O)=O)=C2[C@@](CCC(=C2)C(C)C)([H])[C@@]2([C@@](C1)([C@](C(=O)OC)(CCC2)C)[H])C |
| SPLASH | splash10-001i-0009100000-a6b5f6a200587fa45228 |
| Source of Spectrum | AH-133-238-12 |
| Wiley ID | 1546631 |