| SpectraBase Compound ID | HjrF1KhPrzr |
|---|---|
| InChI | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | KQJSQWZMSAGSHN-JJWQIEBTSA-N |
| Mol Weight | 450.6 g/mol |
| Molecular Formula | C29H38O4 |
| Exact Mass | 450.27701 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | DYkEnM411Uy |
|---|---|
| Name | Celastrol |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 70950 |
| Lot Number | 0472282-7 |
| Accessory | DurasamplIR II |
| CAS Registry Number | 34157-83-0 |
| Classification | triterpenoid antioxidant compound isolated from Chinese thunder god vine |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H38O4 |
| InChI | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 |
| InChIKey | KQJSQWZMSAGSHN-JJWQIEBTSA-N |
| Instrument Name | Bio-Rad FTS |
| Sample Description | crystalline solid |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 3-Hydroxy-9β,13α-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid |
| Technique | ATR-Neat (DuraSamplIR II) |