| SpectraBase Spectrum ID |
IWm5vGlDFJY |
| Name |
Celastrol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
70950 |
| Lot Number |
0472282-7 |
| CAS Registry Number |
34157-83-0 |
| Classification |
triterpenoid antioxidant compound isolated from Chinese thunder god vine |
| Copyright |
Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H38O4 |
| IUPAC Name |
3-Hydroxy-9β,13α-dimethyl-2-oxo-24,25,26-trinoroleana-1(10),3,5,7-tetraen-29-oic acid |
| 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 |
| SMILES |
OC([C@@]1(CC[C@@]2(CC[C@@]3(\C4=C\C=C\5\C(=C/(C(\C=C/5[C@@]4(CC[C@]3([C@@]2(C1)[H])C)C)=O)O)C)C)C)C)=O |
| Scan Speed (number) |
5 |
| 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 |
KBr0 |
