Products 1619260-05-7

CAS 1619260-05-7 is the registry number for 3-O-Acetyl-11-methoxy-α-boswellic acid. Offered by: MedChemExpress. Available pack sizes: Get quote.

3-O-Acetyl-11-methoxy-α-boswellic acid
MedChemExpress
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Structural formula: {0} (CAS {1})

(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid (CAS 1619260-05-7) is a chemical compound with the molecular formula C33H52O5 and a molecular weight of 528.8 g/mol. IUPAC name: (3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid. InChIKey: ZTNKISWRQLEFFV-ALEIUMSZSA-N.

Identity
Molecular formulaC33H52O5
Molecular weight528.8 g/mol
IUPAC name(3R,4R,4aR,6aR,6bS,8aR,12aR,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid
InChIKeyZTNKISWRQLEFFV-ALEIUMSZSA-N
SMILESCC(=O)O[C@@H]1CC[C@]2([C@H]([C@@]1(C)C(=O)O)CC[C@@]3([C@@H]2C(C=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)OC)C)C

Computed by PubChem (NCBI)

Synonyms: orb3179927
Isomers (same molecular formula)
(2R)-2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid C33H52O5
methyl (4aS,6aR,6bR,10S,12aR,14aR,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-14-oxo-3,4,5,6,6a,7,8,8a,10,11,12,13,14a,14b-tetradecahydro-1H-picene-4a-carboxylate C33H52O5
(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14R,14aR,14bS)-3-acetyloxy-14-methoxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid C33H52O5
(1R,2S,5S,8R,9R,10S,14R,15R,17R,21S,23R)-9-hydroxy-1,2,8,9,15,19,19,22,22-nonamethyl-18,20-dioxahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacos-11-ene-5-carboxylic acid C33H52O5
methyl (1R,3aS,5aS,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-acetyloxy-5a-(hydroxymethyl)-5b,8,8,11a-tetramethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate C33H52O5

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