![(3-[3-Cholamidopropyl)dimethylammonio]-1-propane](/api/spectrum/4YfPfSDm9C7/structure.png?h=300&w=458 "(3-[3-Cholamidopropyl)dimethylammonio]-1-propane")
| SpectraBase Compound ID | 8lIeoPfLJXw |
|---|---|
| InChI | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
| Mol Weight | 614.9 g/mol |
| Molecular Formula | C32H58N2O7S |
| Exact Mass | 614.396473 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4YfPfSDm9C7 |
|---|---|
| Name | (3-[3-Cholamidopropyl)dimethylammonio]-1-propane |
| Source of Sample | Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany |
| Catalog Number | 220201 |
| Lot Number | 510087 |
| Acronyms | CHAPS |
| CAS Registry Number | 75621-03-3 |
| Cell Type | NMR tube |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H58N2O7S |
| InChI | InChI=1S/C32H58N2O7S/c1-21(8-11-29(38)33-14-6-15-34(4,5)16-7-17-42(39,40)41)24-9-10-25-30-26(20-28(37)32(24,25)3)31(2)13-12-23(35)18-22(31)19-27(30)36/h21-28,30,35-37H,6-20H2,1-5H3,(H-,33,38,39,40,41)/t21-,22+,23-,24-,25+,26+,27-,28+,30+,31+,32-/m1/s1 |
| InChIKey | UMCMPZBLKLEWAF-BCTGSCMUSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power | 694 mW |
| Raman Laser Source | Nd:YAG |
| SMILES | O[C@@]1([C@]2([C@]([C@@]3([C@@](C[C@@]4(C[C@@](CC[C@@]4([C@]3(C1)[H])C)(O)[H])[H])(O)[H])[H])(CC[C@@]2([C@@](CCC(NCCC[N+](C)(C)CCCS(=O)(=O)[O-])=O)(C)[H])[H])[H])C)[H] |
| Scans Performed | 4288 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |