CAS 32450-26-3

(3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione

Description:

The chemical substance with the name "(3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione" and CAS number "32450-26-3" is a complex organic compound characterized by its intricate stereochemistry and multiple functional groups. It features a xanthene core structure, which is a fused bicyclic system known for its stability and fluorescence properties. The presence of multiple chiral centers indicates that the compound can exist in various stereoisomeric forms, which may influence its biological activity and interactions. The compound also contains ketone and hydroxyl functional groups, contributing to its reactivity and potential applications in medicinal chemistry. Its structural complexity suggests potential uses in pharmaceuticals, particularly in the development of therapeutic agents. Overall, this compound exemplifies the rich diversity of organic molecules and their potential roles in various chemical and biological processes.

Formula: C₂₈H₄₀O₆

InChI: InChI=1S/C28H40O6/c1-8-15(2)23(30)16(3)17-13-19(29)18-14-20-27(6)11-9-21(26(4,5)32)33-22(27)10-12-28(20,7)34-25(18)24(17)31/h13,15-16,20-22,32H,8-12,14H2,1-7H3/t15-,16-,20+,21+,22+,27+,28+/m0/s1

InChI key: InChIKey=NTPNSKLZWVYKGK-WWURSIHSSA-N

SMILES: C[C@@]12[C@@]3([C@](C)(OC4=C(C3)C(=O)C=C([C@@H](C([C@H](CC)C)=O)C)C4=O)CC[C@]1(O[C@@H]([C@](C)(C)O)CC2)[H])[H]

Synonyms:

• Pyrano[3,2-a]xanthene-8,11-dione, 9-(1,3-dimethyl-2-oxopentyl)-1,2,3,4aα,5,6,6a,12,12aα,12b-decahydro-3β-(1-hydroxy-1-methylethyl)-6aβ,12bβ-dimethyl-, stereoisomer
• Cochlioquinone B
• (3R,4aR,6aR,12aR,12bR)-9-[(1S,3S)-1,3-Dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethylpyrano[3,2-a]xanthene-8,11-dione
• Cochlioquinone A, 20-de(acetyloxy)-11-deoxy-20-oxo-
• Pyrano[3,2-a]xanthene-8,11-dione, 9-[(1S,3S)-1,3-dimethyl-2-oxopentyl]-1,2,3,4a,5,6,6a,12,12a,12b-decahydro-3-(1-hydroxy-1-methylethyl)-6a,12b-dimethyl-, (3R,4aR,6aR,12aR,12bR)-

Cochlioquinone B

CAS: 32450-26-3

Cochlioquinone B is a phytotoxin that inhibits NADH oxidase and NADH-2,3-dimethoxy-5-pentyl-1,4-benzoquinone reductase from heart mitochondria.

Formula: C₂₈H₄₀O₆

Color and Shape: Solid

Molecular weight: 472.61

Ref: TM-T71866