(1S,2R,4′aS,6S,7′R,9′aS)-6-(Acetyloxy)tetrahydro-2-(hydroxymethyl)-3,3-dimethyl-8′-methylenespiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, ≥98%

cas: 476640-22-9 — see every product listed under this CAS number, including other names

(1S,2R,4′aS,6S,7′R,9′aS)-6-(Acetyloxy)tetrahydro-2-(hydroxymethyl)-3,3-dimethyl-8′-methylenespiro[cyclohexane-1,4′(3′H)-[1H-7,9a]methanocyclohepta[c]pyran]-1′,9′(4′aH)-dione, ≥98% (CAS 476640-22-9) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: Chemat.

• 2D
• 3D

[(1S,1'S,3'R,5S,6S,9R)-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate (CAS 476640-22-9) is a chemical compound with the molecular formula C22H30O6 and a molecular weight of 390.5 g/mol. IUPAC name: [(1S,1'S,3'R,5S,6S,9R)-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate. InChIKey: RAWOPLHURKGKQI-PTMKQUBYSA-N.

Identity

Molecular formula	C22H30O6
Molecular weight	390.5 g/mol
IUPAC name	[(1S,1'S,3'R,5S,6S,9R)-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
InChIKey	RAWOPLHURKGKQI-PTMKQUBYSA-N
SMILES	CC(=O)O[C@H]1CCC([C@H]([C@@]12COC(=O)[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)CO)(C)C

Computed by PubChem (NCBI)

Synonyms: Lushanrubescensin H, Rabdoternin H, orb1991877

Isomers (same molecular formula)

(1S,2S,4R,8R,9S,11S,12S,13R)-8-hydroperoxy-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one C₂₂H₃₀O₆

(1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione C₂₂H₃₀O₆

[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] formate C₂₂H₃₀O₆

[(1R,2S,6R,10S,11R,13S,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] acetate C₂₂H₃₀O₆

[(1S,2S,5R,8S,9S,10S,11R,15S)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-15-yl] acetate C₂₂H₃₀O₆

[(2R,3R,3aR,4S,7S,7aR)-3-acetyloxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate C₂₂H₃₀O₆

(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-phenoxybut-1-enyl]cyclopentyl]hept-5-enoic acid C₂₂H₃₀O₆

[(4bS,8aS,9S,10S)-1,10-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-9-yl] acetate C₂₂H₃₀O₆

5-[(2S,3R)-4-(3-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol C₂₂H₃₀O₆

[(1S,2S,3R,5S,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate C₂₂H₃₀O₆

(1S,4S,8R,9R,12R,13S,16R)-9-ethoxy-11-hydroxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione C₂₂H₃₀O₆