Products 121449-94-3

CAS 121449-94-3 is the registry number for Luffolide. Offered by: TargetMol. Available pack sizes: 25mg, 50mg, 100mg.

Luffolide
TargetMol
  • size: 25mg, 50mg, 100mg
  • Variants: 3
from 15467.41
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Structural formula: {0} (CAS {1})

[(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl] acetate (CAS 121449-94-3) is a chemical compound with the molecular formula C27H40O6 and a molecular weight of 460.6 g/mol. IUPAC name: [(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl] acetate. InChIKey: QPTVAYUFYIWGFW-QRDIJWGLSA-N.

Identity
Molecular formulaC27H40O6
Molecular weight460.6 g/mol
IUPAC name[(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl] acetate
InChIKeyQPTVAYUFYIWGFW-QRDIJWGLSA-N
SMILESCC(=O)O[C@H](C[C@@H]1[C@H](CC[C@H]2[C@]1(CC[C@@H]3[C@@]2(CCCC3(C)C)C)C)C=O)C4=CC(=O)O[C@H]4O

Computed by PubChem (NCBI)

Synonyms: Luffolide, orb1738260
Isomers (same molecular formula)
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate C27H40O6
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C27H40O6
5-methyl-5-[(3S,5R,7S,10S,13R,14R,15R,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one C27H40O6
(4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C27H40O6
(4R)-4-[(5R,10S,13R,14R,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C27H40O6
methyl 4-(3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate C27H40O6