| SpectraBase Compound ID | BUf9PWazr4d |
|---|---|
| InChI | InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1 |
| InChIKey | TYBARJRCFHUHSN-DMJRSANLSA-N |
| Mol Weight | 728.779 g/mol |
| Molecular Formula | C29H60O20 |
| Exact Mass | 728.367794 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | C56nwfUM45e |
|---|---|
| Name | Quabain (Strophanthin G) 8H2O |
| Source of Sample | Calbiochem, EMD Chemicals, Inc., an Affiliate of Merck KGaA, Darmstadt, Germany |
| Catalog Number | 4995 |
| Lot Number | 102373 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 11018-89-6 |
| Compound Type | Pure |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H60O20 |
| InChI | InChI=1S/C29H44O12.8H2O/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31;;;;;;;;/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3;8*1H2/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-;;;;;;;;/m0......../s1 |
| InChIKey | TYBARJRCFHUHSN-DMJRSANLSA-N |
| Instrument Name | Bio-Rad FTS |
| Source of Spectrum | Forensic Spectral Research |
| Technique | ATR-Neat (DuraSamplIR II) |