CAS 175796-50-6: [(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl 4-hydroxy-3-methoxybenzeneacetate

Description: The chemical substance with the name "[(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl 4-hydroxy-3-methoxybenzeneacetate" and CAS number "175796-50-6" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a cyclopropabenzazulene core, which contributes to its unique structural properties. The presence of multiple hydroxyl groups indicates potential for hydrogen bonding, influencing its solubility and reactivity. The acetyloxy and phenylacetoxy substituents suggest that the compound may exhibit significant biological activity, possibly interacting with various biological targets. Additionally, the presence of methoxy and hydroxy groups may enhance its pharmacological properties. Overall, this compound's structural complexity and functional diversity suggest potential applications in medicinal chemistry, though specific biological activities would require further investigation through empirical studies.

Formula: C₃₉H₄₄O₁₁

InChI: InChI=1S/C39H44O11/c1-21-14-30-37(45,34(21)44)19-26(20-48-31(42)18-25-12-13-28(41)29(16-25)47-6)15-27-33-36(4,5)39(33,50-23(3)40)35(22(2)38(27,30)46)49-32(43)17-24-10-8-7-9-11-24/h7-16,22,27,30,33,35,41,45-46H,17-20H2,1-6H3/t22-,27+,30-,33-,35-,37-,38-,39-/m1/s1

InChI key: InChIKey=OGRGWTXWAZBJKF-JXWJAAHMSA-N

SMILES: O=C(OC12C(OC(=O)CC=3C=CC=CC3)C(C)C4(O)C(C=C(COC(=O)CC5=CC=C(O)C(OC)=C5)CC6(O)C(=O)C(=CC64)C)C1C2(C)C)C

Synonyms:

• ((1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5
• 12-O-Phenylacetyl-13-O-acetylphorbol-20-homovanillate
• Benzeneacetic acid, 4-hydroxy-3-methoxy-, [(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl ester
• Benzeneacetic acid, 4-hydroxy-3-methoxy-, [9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl ester, [1aR-(1aα,1bβ,4aβ,7aα,7bα,8α,9β,9aα)]-
• Phorbol 12-Phenylacetate 13-Acetate 20-Homovanillate
• [(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(Acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl 4-hydroxy-3-methoxybenzeneacetate
• {(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-3-yl}methyl (4-hydroxy-3-methoxyphenyl)acetate

Benzeneacetic acid, 4-hydroxy-3-methoxy-, [(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-9-[(phenylacetyl)oxy]-1H-cyclopropa[3,4]benz[1,2-e]azulen-3-yl]methyl ester

CAS: 175796-50-6

• Formula: C₃₉H₄₄O₁₁
• Molecular weight: 688.7601

13-Acetyl,12-Phenacetyl-Phorbol 20-Homovanillate

CAS: 175796-50-6

• Formula: C₃₉H₄₄O₁₁
• Color and Shape: Neat
• Molecular weight: 688.76