| 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 |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | Jbq3MyMHtb6 |
|---|---|
| Name | OUABAIN, OCTAHYDRATE |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2024 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 |
| Melting Point | 190C (dec.) |
| Molecular Weight | 728.778992 |
| Optical Properties | Optical Rotation= (20C) -24.4 DEG (c=1, WATER) |
| Synonyms | G-STROPHANTHIN OUABAIN |
| Technique | KBr WAFER |