Products 77949-42-9

CAS 77949-42-9 is the registry number for Longikaurin E. Offered by: Biosynth, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 1 mg.

Longikaurin E
Biosynth, MedChemExpress
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 5158.74
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Structural formula: {0} (CAS {1})

[(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 (CAS 77949-42-9) is a chemical compound with the molecular formula C22H30O6 and a molecular weight of 390.5 g/mol. IUPAC name: [(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. InChIKey: VLCMAXYGZMNIMT-HFMLIDFKSA-N.

Identity
Molecular formulaC22H30O6
Molecular weight390.5 g/mol
IUPAC name[(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
InChIKeyVLCMAXYGZMNIMT-HFMLIDFKSA-N
SMILESCC(=O)O[C@@H]1C[C@@H]2C[C@]3([C@@H]1[C@]45CCCC([C@H]4[C@@H]([C@]3(OC5)O)O)(C)C)C(=O)C2=C

Computed by PubChem (NCBI)

Synonyms: Longikaurin E, (-)-Longikaurin E
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,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 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