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CAS 535974-91-5

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

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-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl 4-hydroxy-3-iodo-5-methoxybenzeneacetate" (CAS 535974-91-5) is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a bicyclic structure that includes an azulene moiety, which contributes to its unique aromatic properties. The presence of hydroxyl, methoxy, and iodo substituents indicates potential for diverse reactivity and biological activity. The compound's stereochemistry, denoted by specific configurations at various chiral centers, suggests that it may exhibit specific interactions in biological systems, potentially influencing its pharmacological profile. Additionally, the presence of a phenylmethyl group and an acetate moiety may enhance its lipophilicity and solubility, impacting its bioavailability. Overall, this compound exemplifies the complexity often found in natural product derivatives and synthetic organic chemistry, with potential applications in medicinal chemistry and drug development.
Formula:C37H39IO9
InChI:InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36-,37-/m1/s1
InChI key:InChIKey=TZUJORCXGLGWDV-DZBJMWFRSA-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(COC(CC6=CC(OC)=C(O)C(I)=C6)=O)C[C@@]7(O)[C@]3(C=C(C)C7=O)[H])[H]
Synonyms:
  • [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-Octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl 4-hydroxy-3-iodo-5-methoxybenzeneacetate
  • 5-Iodoresiniferatoxin
  • Benzeneacetic acid, 4-hydroxy-3-iodo-5-methoxy-, [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-3a,3b,6,6a,9a,10,11,11a-octahydro-6a-hydroxy-8,10-dimethyl-11a-(1-methylethenyl)-7-oxo-2-(phenylmethyl)-7H-2,9b-epoxyazuleno[5,4-e]-1,3-benzodioxol-5-yl]methyl ester
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