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CAS 124901-80-0

:

Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-

Description:
Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, with CAS number 124901-80-0, is a complex organic compound characterized by its unique spirocyclic structure, which incorporates both a benzopyran and an oxirane moiety. This compound features multiple stereocenters, contributing to its chiral nature and potentially influencing its biological activity. The presence of hydroxyl groups and acetate functionalities suggests it may exhibit solubility in polar solvents and could participate in hydrogen bonding. Its intricate structure may also indicate potential applications in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. The compound's stability, reactivity, and interactions with biological systems would depend on its specific functional groups and stereochemistry, making it a subject of interest for further research in organic synthesis and pharmacology.
Formula:C24H32O8
InChI:InChI=1S/C24H32O8/c1-12-7-19(29-13(2)25)24-17(22(12,4)18-8-15-5-6-27-20(15)32-18)9-16(10-23(24)11-28-23)31-21(24)30-14(3)26/h5-6,12,15-21H,7-11H2,1-4H3/t12-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+/m1/s1
InChI key:InChIKey=CEUOLEQPGHORRY-TXFJJUHBSA-N
SMILES:O(C(C)=O)[C@@H]1[C@]23[C@]4(C[C@@](C[C@@]2([C@](C)([C@H](C)C[C@@H]3OC(C)=O)[C@@]5(C[C@@]6([C@](O5)(OC=C6)[H])[H])[H])[H])(O1)[H])CO4
Synonyms:
  • Jodrellin A
  • Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, 1,8-diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-
  • Spiro[3H-3,8a-ethano-1H-2-benzopyran-9,2′-oxirane]-1,8-diol, hexahydro-5,6-dimethyl-5-[(2S,3aS,6aS)-2,3,3a,6a-tetrahydrofuro[2,3-b]furan-2-yl]-, diacetate, (1R,2′R,3R,4aR,5S,6R,8S,8aR)-
  • Caryoptinol, 3-deoxy-2,18-epoxy-, (2α,18R)-
  • Furo[2,3-b]furan, caryoptinol deriv.
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