3-(2-((1R,4aS,5R,8aS)-5,8a-Dimethyl-2-methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)decahydronaphthalen-1-yl)ethyl)furan-2(5H)-one, 98%

cas: 27215-14-1 — see every product listed under this CAS number, including other names

3-(2-((1R,4aS,5R,8aS)-5,8a-Dimethyl-2-methylene-5-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)decahydronaphthalen-1-yl)ethyl)furan-2(5H)-one, 98% (CAS 27215-14-1) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 25mg, 100mg. Offered by: Fluorochem.

• 2D
• 3D

Neoandrographolide is a diterpene glycoside.

Source: ChEBI

Identity

Molecular formula	C26H40O8
Molecular weight	480.6 g/mol
IUPAC name	4-[2-[(1R,4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
InChIKey	YGCYRQKJYWQXHG-RDNQFMDVSA-N
SMILES	C[C@]1(CCC[C@@]2([C@@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)C)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O

Computed by PubChem (NCBI)

Synonyms: Neoandrographolide, Neoandrographiside, (-)-neoandrographolide, Neoandrographolide (Standard), MEGxp0_000981, orb1222432, orb1303611, orb3140771, ACon1_000667, Neoandrographolide, analytical standard

Isomers (same molecular formula)

(1R,4S,5R,9S,10R,13S)-5,9-dimethyl-14-methylidene-13-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C₂₆H₄₀O₈

(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,5S,8R,9S,10S,13S,14S)-2,10,13-trimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylic acid C₂₆H₄₀O₈

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C₂₆H₄₀O₈

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10S,13R,15R)-15-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C₂₆H₄₀O₈

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9S,10R,13S)-13-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate C₂₆H₄₀O₈