Products 103744-18-9

CAS 103744-18-9 is the registry number for (6α,11β)-11,21-Dihydroxy-6-methyl-pregna-1,4-diene-3,20-dione, 98%. Offered by: Chemat. Available pack sizes: 10mg.

(6α,11β)-11,21-Dihydroxy-6-methyl-pregna-1,4-diene-3,20-dione, 98%
Chemat
  • size: 10mg
  • Variants: 1
from 606.80
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Structural formula: {0} (CAS {1})

(1R,3S,5R,8R,9R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4R)-5-hydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1-carbaldehyde (CAS 103744-18-9) is a chemical compound with the molecular formula C52H86O21 and a molecular weight of 1047.2 g/mol. IUPAC name: (1R,3S,5R,8R,9R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4R)-5-hydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1-carbaldehyde. InChIKey: PGKZQOIHECRZTF-DQAHJIFWSA-N.

Identity
Molecular formulaC52H86O21
Molecular weight1047.2 g/mol
IUPAC name(1R,3S,5R,8R,9R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4R)-5-hydroxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,10,11,12,13,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-1-carbaldehyde
InChIKeyPGKZQOIHECRZTF-DQAHJIFWSA-N
SMILESC[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@@H](C(CO[C@H]2O[C@H]3C[C@H](C4[C@H]5CC[C@@H]6[C@H](CC[C@]6([C@@]5(CC[C@H]4C3(C)C)C)C)[C@@](CCC=C(C)C)(COC7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)C=O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: (6|A,11|A)-11,21-Dihydroxy-6-methyl-pregna-1,4-diene-3,20-dione
Isomers (same molecular formula)
(3S,5S,8R,9S,10S,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-3-[(2S,3R,4S,5S)-5-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,4,8,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde C52H86O21