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CAS 81552-35-4

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(2R,2′S,3aS,7S,9S,13R,13aS)-2-(Dimethoxymethyl)-3a,7,8,9,13,13a-hexahydro-7,9,11,13-tetrahydroxy-6-methoxy-4-methylspiro[2,13-methano-10H-anthra[1,2-b]-1,3-dioxolo[4,5-d]pyran-14,2′-oxiran]-10-one

Description:
The chemical substance with the name "(2R,2′S,3aS,7S,9S,13R,13aS)-2-(Dimethoxymethyl)-3a,7,8,9,13,13a-hexahydro-7,9,11,13-tetrahydroxy-6-methoxy-4-methylspiro[2,13-methano-10H-anthra[1,2-b]-1,3-dioxolo[4,5-d]pyran-14,2′-oxiran]-10-one" and CAS number "81552-35-4" is a complex organic compound characterized by its intricate molecular structure, which includes multiple stereocenters and functional groups. This compound features a spirocyclic framework, indicative of its unique three-dimensional arrangement, which contributes to its potential biological activity. The presence of hydroxyl groups suggests it may exhibit hydrogen bonding capabilities, influencing its solubility and reactivity. Additionally, the dimethoxymethyl and methoxy substituents may enhance its lipophilicity, affecting its interaction with biological membranes. The compound's specific stereochemistry is crucial for its pharmacological properties, as it may interact with biological targets in a stereospecific manner. Overall, this substance represents a class of compounds that may have applications in medicinal chemistry, particularly in the development of therapeutic agents.
Formula:C25H26O12
InChI:InChI=1S/C25H26O12/c1-8-5-9-13(17(29)15-14(18(9)31-2)10(26)6-11(27)16(15)28)19-12(8)20-21-24(30,35-19)23(7-34-23)25(36-20,37-21)22(32-3)33-4/h5,10-11,20-22,26-27,29-30H,6-7H2,1-4H3/t10-,11-,20-,21-,23-,24+,25-/m0/s1
InChI key:InChIKey=CPBAGBXYUGCFGT-CBEGQXPNSA-N
SMILES:C(OC)(OC)[C@@]12[C@@]3([C@@]4(O)[C@@](O1)([C@@](O2)(C=5C(O4)=C6C(=CC5C)C(OC)=C7C(=C6O)C(=O)[C@@H](O)C[C@@H]7O)[H])[H])CO3
Synonyms:
  • Antibiotic DC 45A2
  • DC-45-A2
  • Trioxacarcinone A
  • Spiro[2,13-methano-10H-anthra[1,2-b]-1,3-dioxolo[4,5-d]pyran-14,2′-oxiran]-10-one, 2-(dimethoxymethyl)-3a,7,8,9,13,13a-hexahydro-7,9,11,13-tetrahydroxy-6-methoxy-4-methyl-, (2R,2′S,3aS,7S,9S,13R,13aS)-
  • (2R,2′S,3aS,7S,9S,13R,13aS)-2-(Dimethoxymethyl)-3a,7,8,9,13,13a-hexahydro-7,9,11,13-tetrahydroxy-6-methoxy-4-methylspiro[2,13-methano-10H-anthra[1,2-b]-1,3-dioxolo[4,5-d]pyran-14,2′-oxiran]-10-one
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