2-[5-[(Phenylsulfonyl)methyl]-1,2-dioxolan-3-yl]-2,3-seco-5.alpha.-cholestan-3-carboxylic acid methyl ester isomer
Compound with spectra: 1 NMR, and 1 MS (GC)
![2-[5-[(Phenylsulfonyl)methyl]-1,2-dioxolan-3-yl]-2,3-seco-5.alpha.-cholestan-3-carboxylic acid methyl ester isomer](/api/compound/2gvO8Y8xsdF.png?ph=true&h=300&w=458 "2-[5-[(Phenylsulfonyl)methyl]-1,2-dioxolan-3-yl]-2,3-seco-5.alpha.-cholestan-3-carboxylic acid methyl ester isomer")
| SpectraBase Compound ID | 2gvO8Y8xsdF |
|---|---|
| InChI | InChI=1S/C37H58O6S/c1-25(2)11-10-12-26(3)32-17-18-33-31-16-15-27(21-35(38)41-6)37(5,34(31)19-20-36(32,33)4)23-28-22-29(43-42-28)24-44(39,40)30-13-8-7-9-14-30/h7-9,13-14,25-29,31-34H,10-12,15-24H2,1-6H3/t26-,27+,28?,29?,31+,32-,33+,34+,36-,37+/m1/s1 |
| InChIKey | MPKGOFCJSBJMSN-MYEODQBKSA-N |
| Mol Weight | 630.9 g/mol |
| Molecular Formula | C37H58O6S |
| Exact Mass | 630.395411 g/mol |
| Enantiomer InChIKey | MPKGOFCJSBJMSN-CANRENAESA-N |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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| Source of Spectrum | J-63-4705-36 |
- [(3R,3aR,5aS,6S,7S,9aR,9bS)-6-((3R,5R)-5-Benzenesulfonylmethyl-[1,2]dioxolan-3-ylmethyl)-3-((R)-1,5-dimethyl-hexyl)-3a,6-dimethyl-dodecahydro-cyclopenta[a]naphthalen-7-yl]-acetic acid methyl ester
- methyl[(3R,3aR,5aS,6S,7S,9aR,9bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-6-({5-[(phenylsulfonyl)methyl]-1,2-dioxolan-3-yl}methyl)dodecahydro-1H-cyclopenta[a]naphthalen-7-yl]acetate