celastrol
Molecular Formula:
C28H36O4
InChI: InChI=1/C28H36O4/c1-24-8-9-25(2,23(31)32)16-22(24)28(5)13-11-26(3)18-15-20(30)19(29)14-17(18)6-7-21(26)27(28,4)12-10-24/h6-7,14-15,22,29H,8-13,16H2,1-5H3,(H,31,32)/t22-,24-,25-,26+,27-,28+/m1/s1/f/h31H
InChIKey: InChIKey=FXLVCCDIUNLGKU-JAGZQACXDG
SMILES: CC12CCC(CC1C3(CCC4(C(=CC=C5C4=CC(=O)C(=C5)O)C3(CC2)C)C)C)(C)C(=O)O
Names:
celastrol
(2R,4aS,6aS,6aR,14aS,14bR)-10-hydroxy-2,4a,6a,6a,14a-pentamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid
Registries:
PubChem CID 5701992
PubChem ID 8149161
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