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CAS 187166-40-1

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1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-

Description:
The chemical substance known as 1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, with the CAS number 187166-40-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and stereocenters. This compound features a bicyclic core structure, indicative of its indaceno framework, and incorporates an oxacyclododecin moiety, suggesting potential applications in medicinal chemistry due to its unique arrangement of carbon and oxygen atoms. The presence of a sugar moiety, specifically a modified α-L-mannopyranosyl group, indicates that this compound may exhibit biological activity, possibly interacting with biological systems through glycosylation. Additionally, the dimethylamino group and various alkyl substituents contribute to its lipophilicity and potential pharmacological properties. The stereochemistry of the compound, denoted by the specific R and S configurations, is crucial for its biological activity, as it may influence how the molecule interacts with biological targets. Overall, this compound represents a fascinating example of the intersection between organic chemistry and pharmacology, warranting further investigation into its properties and potential uses.
Formula:C42H69NO10
InChI:InChI=1/C43H69NO10.C42H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43;1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3;21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43-;23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40+,41-,42-/m11/s1
InChI key:InChIKey=GOENIMGKWNZVDA-RWGFPKGXSA-N
SMILES:O([C@H]1C[C@]2([C@]3([C@]([C@]4(C(=C3)C(=O)[C@H](C)[C@@H](O[C@@H]5O[C@H](C)[C@@H](N(C)C)CC5)CCC[C@H](CC)OC(=O)C4)[H])(CC[C@@]2(C1)[H])[H])[H])[H])[C@H]6[C@H](OC)[C@H](OCC)[C@@H](OC)[C@H](C)O6
Synonyms:
  • (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-2-[(6-Deoxy-3-O-ethyl-2,4-di-O-methyl-α-<span class="text-smallcaps">L</span>-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-1H-as-indaceno[3,2-d]oxacyclododecin-7,15-dione
  • 187166-15-0
  • 187166-40-1
  • 1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-<span class="text-smallcaps">L</span>-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-
  • 1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-<span class="text-smallcaps">L</span>-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, [2R-(2R*,3aR*,5aR*,5bS*,9S*,13S*,14R*,16aS*,16bR*)]-
  • De 175J
  • Spinetoram J
  • Xde 175J
  • 1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, (2R,3aR,5aR,5bS,9S,13S,14R,16aS,16bR)-
  • 1H-as-Indaceno[3,2-d]oxacyclododecin-7,15-dione, 2-[(6-deoxy-3-O-ethyl-2,4-di-O-methyl-α-L-mannopyranosyl)oxy]-13-[[(2R,5S,6R)-5-(dimethylamino)tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-9-ethyl-2,3,3a,4,5,5a,5b,6,9,10,11,12,13,14,16a,16b-hexadecahydro-14-methyl-, [2R-(2R*,3aR*,5aR*,5bS*,9S*,13S*,14R*,16aS*,16bR*)]-
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