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CAS 122547-72-2

:

(1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one

Description:
The chemical substance with the name "(1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one" and CAS number "122547-72-2" is a complex organic compound characterized by its intricate bicyclic structure and multiple functional groups. It features a bicyclo[13.3.1] framework, which contributes to its unique three-dimensional conformation. The presence of multiple hydroxyl (-OH) and methoxy (-OCH3) groups indicates potential for hydrogen bonding and reactivity, influencing its solubility and interaction with biological systems. The compound's stereochemistry, denoted by the specific R and S configurations, suggests that it may exhibit chiral properties, which can affect its pharmacological activity and interactions with enzymes or receptors. Additionally, the phenyl group and dioxabicyclic structure may impart specific electronic and steric characteristics, making it of interest in medicinal chemistry and natural product synthesis. Overall, this compound's structural complexity and functional diversity suggest potential applications in various fields, including pharmaceuticals and organic synthesis.
Formula:C29H44O8
InChI:InChI=1S/C29H44O8/c1-18-16-17-24(34-5)23(33-4)15-11-10-14-22(21-12-8-7-9-13-21)36-28(31)20(3)29(32)27(35-6)25(30)19(2)26(18)37-29/h7-9,12-13,16-20,22-27,30,32H,10-11,14-15H2,1-6H3/b17-16+/t18-,19-,20+,22-,23-,24+,25-,26-,27+,29+/m0/s1
InChI key:InChIKey=WPMGNXPRKGXGBO-OFQQMTDKSA-N
SMILES:O[C@@]12[C@H](OC)[C@@H](O)[C@H](C)[C@@](O1)([C@@H](C)/C=C/[C@@H](OC)[C@@H](OC)CCCC[C@H](OC(=O)[C@H]2C)C3=CC=CC=C3)[H]
Synonyms:
  • (1R,2S,5S,10R,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name)
  • (1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-Dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one
  • (1R,2S,5S,10S,11R,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name)
  • (2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-4,19-dioxabicyclo[13.3.1]nonadec-12-en-3-one (non-preferred name)
  • 4,19-Dioxabicyclo[13.3.1]nonadec-12-en-3-one, 1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-, (1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-
  • 4,19-Dioxabicyclo[13.3.1]nonadec-12-en-3-one, 1,17-dihydroxy-10,11,18-trimethoxy-2,14,16-trimethyl-5-phenyl-, [1R-(1R*,2S*,5S*,10S*,11R*,12E,14S*,15S*,16S*,17S*,18R*)]-
  • C11300
  • Soraphen A<sub>1α</sub>
  • Soraphen β
  • Soraphen A
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