| SpectraBase Compound ID | 1ldvKBURakL |
|---|---|
| InChI | InChI=1S/C29H48O6/c1-16(2)8-9-22(31)27(7,33)21-10-11-28(34)19-12-23(32)29(35)14-18(4)17(3)13-26(29,6)24(19)20(30)15-25(21,28)5/h12,16-18,20-22,24,30-31,33-35H,8-11,13-15H2,1-7H3/t17-,18+,20+,21?,22+,24?,25+,26+,27+,28+,29+/m0/s1 |
| InChIKey | NSBBSAFNRUWOFP-BOEQOACJSA-N |
| Mol Weight | 492.7 g/mol |
| Molecular Formula | C29H48O6 |
| Exact Mass | 492.345089 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | JXKz72Xf3Y7 |
|---|---|
| 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 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| CAS Registry Number | 38778-30-2 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H48O6 |
| InChI | InChI=1S/C29H48O6/c1-16(2)8-9-22(31)27(7,33)21-10-11-28(34)19-12-23(32)29(35)14-18(4)17(3)13-26(29,6)24(19)20(30)15-25(21,28)5/h12,16-18,20-22,24,30-31,33-35H,8-11,13-15H2,1-7H3/t17-,18+,20+,21?,22+,24?,25+,26+,27+,28+,29+/m0/s1 |
| InChIKey | NSBBSAFNRUWOFP-BOEQOACJSA-N |
| Instrument Name | Bio-Rad FTS |
| Melting Point | 238.0 - 240.0 °C |
| SMILES | O[C@@]1(C[C@]2([C@](\C=3C1[C@]1(C[C@@]([C@@](C[C@]1(C(C/3)=O)O)(C)[H])(C)[H])C)(CCC2[C@@]([C@@](CCC(C)C)(O)[H])(C)O)O)C)[H] |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Muristerone A |
| Technique | ATR-Neat |