CAS 57852-42-3

(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one

Description:

The chemical substance with the name "(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one" and CAS number "57852-42-3" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a bicyclic structure that includes a benzodioxole moiety, which is known for its aromatic properties and potential biological activity. The presence of hydroxyl groups suggests that the compound may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. Additionally, the compound's stereochemical configuration indicates that it may have specific interactions with biological targets, making it of interest in medicinal chemistry. Its structural complexity, including multiple chiral centers and substituents, suggests potential for diverse pharmacological effects, although specific biological activities would require further investigation. Overall, this compound exemplifies the rich diversity found in organic chemistry, particularly in the realm of natural product derivatives.

Formula: C₂₈H₃₂O₆

InChI: InChI=1S/C28H32O6/c1-16(2)26-12-18(4)28-21(11-20(15-29)13-25(31)22(28)10-17(3)23(25)30)24(26)32-27(33-26,34-28)14-19-8-6-5-7-9-19/h5-11,18,21-22,24,29,31H,1,12-15H2,2-4H3/t18-,21+,22-,24-,25-,26-,27-,28-/m1/s1

InChI key: InChIKey=FFKXTXJQZGIKQZ-WAGMVDSNSA-N

SMILES: C[C@H]1[C@]23[C@]([C@@]4([C@](C(C)=C)(C1)O[C@](CC5=CC=CC=C5)(O2)O4)[H])(C=C(CO)C[C@@]6(O)[C@]3(C=C(C)C6=O)[H])[H]

Synonyms:

• Resiniferol 9,13,14-orthophenylacetate
• ROPA
• (2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one
• 7H-2,9b-Epoxyazuleno[5,4-e]-1,3-benzodioxol-7-one, 3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-5-(hydroxymethyl)-8,10-dimethyl-11a-(1-methylethenyl)-2-(phenylmethyl)-, (2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-
• Daphnetoxin, 6,7-deepoxy-6,7-didehydro-5-deoxy-21-dephenyl-21-(phenylmethyl)-

ROPA

CAS: 57852-42-3

ROPA or resiniferonol 9,13,14-orthophenylacetate is an analogue of resiniferatoxin that has been shown to have synergistic interactions with detergents, such as Tween-80, in the removal of wheat germ agglutinin (WGA) from Brucella. ROPA is also active against herpes simplex virus and tumour necrosis factor-alpha (TNF-α). When combined with a basic protein, it can activate the receptor and inhibits the formation of dry weight. ROPA has been shown to be able to inhibit the growth of infectious bacteria, such as those that cause tuberculosis or brucellosis. The mechanism for this inhibition is not clear, but may be due to its ability to bind to water molecules and inhibit their binding with bacterial cytoplasmic membranes.

Formula: C₂₈H₃₂O₆

Purity: Min. 95%

Molecular weight: 464.55 g/mol

Ref: 3D-FR61601

ROPA

CAS: 57852-42-3

ROPA, a potent PKCalpha and PKCgamma activator, promotes tumor growth through PKC-activation.

Formula: C₂₈H₃₂O₆

Purity: 98%

Color and Shape: Solid

Molecular weight: 464.55

Ref: TM-T28611