(1S,4S,5S,6aS,8S,9S,9aR,13S,13aR,14R)-8,9,13-Trihydroxy-10,10-dimethyl-16-methylenedecahydro-1H,6aH,8H-1,5,8,4-(epipropane[1,1,1,3]tetrayl)oxocino[3,2-j]isochromen-15-one, 98%, 98%

cas: 52617-37-5 — see every product listed under this CAS number, including other names

(1S,4S,5S,6aS,8S,9S,9aR,13S,13aR,14R)-8,9,13-Trihydroxy-10,10-dimethyl-16-methylenedecahydro-1H,6aH,8H-1,5,8,4-(epipropane[1,1,1,3]tetrayl)oxocino[3,2-j]isochromen-15-one, 98%, 98% (CAS 52617-37-5) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg. Offered by: Chemat.

• 2D
• 3D

(2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one (CAS 52617-37-5) is a chemical compound with the molecular formula C20H26O6 and a molecular weight of 362.4 g/mol. IUPAC name: (2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one. InChIKey: WHRDRHNMTIXZNY-AMOJAPPFSA-N.

Identity

Molecular formula	C20H26O6
Molecular weight	362.4 g/mol
IUPAC name	(2S,5S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
InChIKey	WHRDRHNMTIXZNY-AMOJAPPFSA-N
SMILES	CC1(CC[C@@H](C23[C@@H]1[C@@H]([C@@]4([C@]56[C@H]2CC[C@H]([C@@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C

Computed by PubChem (NCBI)

Synonyms: Ponicidin, Rubescensin B, Rubescensine B, orb1304653, orb3139739

Isomers (same molecular formula)

methyl (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate C₂₀H₂₆O₆

(4aR,6S,7S,8S,8aR)-6-methoxy-2-phenyl-7,8-bis(prop-2-enoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine C₂₀H₂₆O₆

(1S,2S,3S,4R,8R,9R,12S)-8-formyl-12-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid C₂₀H₂₆O₆

propan-2-yl (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate C₂₀H₂₆O₆

(2S,3S)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol C₂₀H₂₆O₆

(E)-8-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2,6-dimethyloct-6-enoic acid C₂₀H₂₆O₆

[(3aR,4S,6Z,9S,10E,11aR)-9-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate C₂₀H₂₆O₆

(2R,3R)-2,3-bis[(2,3,6-trideuterio-4-hydroxy-5-methoxyphenyl)methyl]butane-1,4-diol C₂₀H₂₆O₆

(1S,4S,8R,9R,12S,13S,14S,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione C₂₀H₂₆O₆

4-[4-hydroxy-3,5-bis(methoxymethyl)phenyl]-2,6-bis(methoxymethyl)phenol C₂₀H₂₆O₆

(2R,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol C₂₀H₂₆O₆

(1S,4S,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione C₂₀H₂₆O₆