CAS 30361-37-6

(1R,2S,4aR,12aR)-3-Acetyl-2,4a,12,12a-tetrahydro-1,2,6,7-tetrahydroxy-4a-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-5(1H)-naphthacenone

Description:

The chemical substance with the name "(1R,2S,4aR,12aR)-3-Acetyl-2,4a,12,12a-tetrahydro-1,2,6,7-tetrahydroxy-4a-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-5(1H)-naphthacenone" and CAS number "30361-37-6" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a naphthacenone core, which is a polycyclic aromatic structure, and is substituted with various hydroxyl groups, acetyl groups, and a tetrahydropyran moiety. The presence of multiple stereocenters indicates that the compound can exist in different stereoisomeric forms, which may influence its biological activity and chemical reactivity. The hydroxyl groups suggest potential for hydrogen bonding, which can affect solubility and interaction with biological targets. This compound may be of interest in medicinal chemistry due to its structural complexity and potential pharmacological properties, although specific biological activities would require further investigation. Overall, its unique structure and functionalization make it a noteworthy subject for research in organic and medicinal chemistry.

Formula: C₂₈H₃₀O₁₁

InChI: InChI=1/C28H30O11/c1-12(30)16-10-28(39-20-6-7-27(37,13(2)38-20)19(32)11-29)17(24(34)23(16)33)9-15-8-14-4-3-5-18(31)21(14)25(35)22(15)26(28)36/h3-5,8,10,13,17,20,23-24,29,31,33-35,37H,6-7,9,11H2,1-2H3/t13-,17+,20-,23-,24+,27-,28+/m0/s1

InChI key: InChIKey=XMNPIXXDFQBHOJ-CCQMQQQZSA-N

SMILES: O([C@]12[C@](CC=3C(C1=O)=C(O)C=4C(C3)=CC=CC4O)([C@@H](O)[C@@H](O)C(C(C)=O)=C2)[H])[C@@H]5O[C@@H](C)[C@@](C(CO)=O)(O)CC5

Synonyms:

• (1R)-2,4a,12,12aβ-Tetrahydro-3-acetyl-4aβ-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-(hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-1,2β,6,7-tetrahydroxy-5(1H)-naphthacenone
• 5(1H)-Naphthacenone, 3-acetyl-2,4a,12,12a-tetrahydro-1,2,6,7-tetrahydroxy-4a-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-, (1R,2S,4aR,12aR)-
• Pillaromycin A
• (1R,2S,4aR,12aR)-3-Acetyl-2,4a,12,12a-tetrahydro-1,2,6,7-tetrahydroxy-4a-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-5(1H)-naphthacenone
• (1R,12aβ)-3-Acetyl-2,4a,12,12a-tetrahydro-1β,2β,6,7-tetrahydroxy-4aβ-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-hydroxyacetyl-6-methyl-2H-pyran-2-yl]oxy]naphthacen-5(1H)-one
• 5(1H)-Naphthacenone, 3-acetyl-2,4a,12,12a-tetrahydro-1,2,6,7-tetrahydroxy-4a-[[tetrahydro-5-hydroxy-5-(hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-, [1R-[1α,2α,4aα(2S*,5S*,6S*),12aα]]-
• 5(1H)-Naphthacenone, 3-acetyl-2,4a,12,12a-tetrahydro-1,2,6,7-tetrahydroxy-4a-[[(2S,5S,6S)-tetrahydro-5-hydroxy-5-(hydroxyacetyl)-6-methyl-2H-pyran-2-yl]oxy]-, (1R,2S,4aR,12aR)-
• (1R,2S,4aS,12aR)-3-acetyl-1,2,6,7-tetrahydroxy-4a-[(2S,5S,6S)-5-hydroxy-5-(2-hydroxyacetyl)-6-methyl-oxan-2-yl]oxy-1,2,12,12a-tetrahydrotetracen-5-one

Pillaromycin A

CAS: 30361-37-6

Pillaromycin A exhibits activity against mycobacteria, Gram-positive bacteria, and Gram-negative bacteria, although it is less effective against Gram-negative bacteria. Additionally, it possesses antitumor properties.

Formula: C₂₈H₃₀O₁₁

Color and Shape: Solid

Molecular weight: 542.531

Ref: TM-TN10423