| SpectraBase Compound ID | Bkdq2bb7BXf |
|---|---|
| InChI | InChI=1S/C27H44O8/c1-14(2)6-7-20(31)25(5,33)19-8-9-26(34)15-10-21(32)27(35)13-17(29)16(28)11-24(27,4)22(15)18(30)12-23(19,26)3/h10,14,16-20,22,28-31,33-35H,6-9,11-13H2,1-5H3/t16-,17+,18+,19?,20+,22?,23+,24+,25+,26+,27+/m0/s1 |
| InChIKey | LRJUYAVTHIEHAI-WRENIRACSA-N |
| Mol Weight | 496.6 g/mol |
| Molecular Formula | C27H44O8 |
| Exact Mass | 496.303618 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ex1fGTfO0aM |
|---|---|
| Name | 2β,3β,5β,11α,14α,20R,22R-Heptahydroxycholest-7-en-6-one |
| Source of Sample | Sigma-Aldrich Company LLC |
| Catalog Number | M7888 |
| Lot Number | 100F-0009 |
| CAS Registry Number | 38778-30-2 |
| Cell Type | Capillary tube |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O8 |
| InChI | InChI=1S/C27H44O8/c1-14(2)6-7-20(31)25(5,33)19-8-9-26(34)15-10-21(32)27(35)13-17(29)16(28)11-24(27,4)22(15)18(30)12-23(19,26)3/h10,14,16-20,22,28-31,33-35H,6-9,11-13H2,1-5H3/t16-,17+,18+,19?,20+,22?,23+,24+,25+,26+,27+/m0/s1 |
| InChIKey | LRJUYAVTHIEHAI-WRENIRACSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power | 1401 mW |
| Raman Laser Source | Nd:YAG |
| SMILES | O[C@@]1(C[C@]2([C@](\C3=C\C([C@@]4(C[C@]([C@](C[C@@]4(C13)C)(O)[H])(O)[H])O)=O)(CCC2[C@@]([C@@](CCC(C)C)(O)[H])(C)O)O)C)[H] |
| Scans Performed | 2112 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Muristerone A |
| Technique | FT-Raman |