Andrographolide-lipoic acid

cas: 1167601-06-0 — see every product listed under this CAS number, including other names

Andrographolide-lipoic acid (CAS 1167601-06-0) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1167601-06-0
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Structural formula: {0} (CAS {1})

[(3S,4E)-4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-[(3R)-dithiolan-3-yl]pentanoate (CAS 1167601-06-0) is a chemical compound with the molecular formula C28H42O6S2 and a molecular weight of 538.8 g/mol. IUPAC name: [(3S,4E)-4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-[(3R)-dithiolan-3-yl]pentanoate. InChIKey: RNSASHBZNLJPDG-CRNYEMFYSA-N.

Identity
Molecular formulaC28H42O6S2
Molecular weight538.8 g/mol
IUPAC name[(3S,4E)-4-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-5-oxooxolan-3-yl] 5-[(3R)-dithiolan-3-yl]pentanoate
InChIKeyRNSASHBZNLJPDG-CRNYEMFYSA-N
SMILESC[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2C/C=C/3\[C@@H](COC3=O)OC(=O)CCCC[C@@H]4CCSS4)(C)CO)O

Computed by PubChem (NCBI)

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