Chem
J-GLOBAL ID：200907069303799699   Nikkaji number：J575.130F

Soraphen A

ソラフェンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C29H44O8
Molecular formula furigana： C29-H44-O8
Molecular weight： 520.663
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： WPMGNXPRKGXGBO-OMLKEETESA-N
SMILES： CO[C@@H]1[C@@H](O)[C@H](C)[C@H]2O[C@]1(O)[C@H](C)C(=O)O[C@@H](CCCCC(OC)[C@H](OC)/C=C/[C@@H]2C)c1ccccc1
Systematic name  (2)：
  • (1R,2S,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,17-ジヒドロキシ-10,11,18-トリメトキシ-2,14,16-トリメチル-5-フェニル-4,19-ジオキサビシクロ[13.3.1]ノナデカ-12-エン-3-オン
  • (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
Other name (7)：
  • ソラフェンA1α
  • Soraphen A1α
  • ソラフェンA
  • Soraphen A
  • (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
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CAS registry number： 122547-72-2
KEGG COMPOUND： C11300
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