Products 67650-47-9

CAS 67650-47-9 appears in our catalog under these names: Methyl clerodermate, Methyl clerodermate, min. 95 %, 1 mg, Methyl clerodermate, min. 95 %, 5 mg, Methyl clerodermate, min. 95 %, 10 mg, Methyl clerodermate, min. 95 %, 25 mg. Offered by: Biosynth, MedChemExpress, Roth. Available pack sizes: 5mg, 1mg, 10mg, 25mg, 50mg, Get quote.

Methyl clerodermate
Biosynth, MedChemExpress
  • size: 5mg, 1mg, 10mg, 25mg
  • Variants: 6
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Methyl clerodermate, min. 95 %, 1 mg
Roth
  • size: 1mg
  • Variants: 1
from 1722.66
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Methyl clerodermate, min. 95 %, 5 mg
Roth
  • size: 5mg
  • Variants: 1
from 6838.70
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Methyl clerodermate, min. 95 %, 10 mg
Roth
  • size: 10mg
  • Variants: 1
from 12124.66
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Methyl clerodermate, min. 95 %, 25 mg
Roth
  • size: 25mg
  • Variants: 1
from 26500.56
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Structural formula: {0} (CAS {1})

Methyl (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate (CAS 67650-47-9) is a chemical compound with the molecular formula C21H30O4 and a molecular weight of 346.5 g/mol. IUPAC name: methyl (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate. InChIKey: ZAOFNJDVAJQRBK-LPNJYYIDSA-N.

Identity
Molecular formulaC21H30O4
Molecular weight346.5 g/mol
IUPAC namemethyl (4aR,5S,6R,8aR)-5,6,8a-trimethyl-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
InChIKeyZAOFNJDVAJQRBK-LPNJYYIDSA-N
SMILESC[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC=C2C(=O)OC)C

Computed by PubChem (NCBI)

Synonyms: Clerodermic acid methyl ester, Methyl clerodermate, orb1685043
Isomers (same molecular formula)
(9S,10S)-6,6,9-trimethyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-1,9,10-triol C21H30O4
[(1S,2S,4R,6S,8S,11R,12S,14R,16R,17S)-2,17-dimethyl-5,15-dioxahexacyclo[9.8.0.02,8.04,6.012,17.014,16]nonadecan-16-yl] acetate C21H30O4
(8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11S,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11R,13S,14S,17R)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one C21H30O4
(6R,8R,9S,10R,13S,14S,17R)-17-acetyl-6,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one C21H30O4
(5R,8S,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione C21H30O4
3-methyl-1-[2,4,6-trihydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]butan-1-one C21H30O4
[(3S,7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C21H30O4