Chem
J-GLOBAL ID：200907086580995707   Nikkaji number：J246.239G

Annonacin

アンノナシン
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： C35H64O7
Molecular formula furigana： C35-H64-O7
Molecular weight： 596.890
InChI： InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1
InChI key： XNODZYPOIPVPRF-CGWDHHCXSA-N
SMILES： CCCCCCCCCCCC[C@@H](O)[C@H]1CC[C@@H](O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O
Systematic name  (3)：
  • (5S)-5-メチル-3-[(2R,8R,13R)-2,8,13-トリヒドロキシ-13-[[(2R)-テトラヒドロ-5α-[(R)-1-ヒドロキシトリデシル]フラン]-2β-イル]トリデシル]-2(5H)-フラノン
  • (5S)-5-メチル-3-[(2R,8R,13R)-2,8,13-トリヒドロキシ-13-[(2R,5R)-5-[(1R)-1-ヒドロキシトリデシル]オキソラン-2-イル]トリデシル]-2,5-ジヒドロフラン-2-オン
  • (5S)-5-methyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2,5-dihydrofuran-2-one
Other name (4)：
  • アンノナシン
  • Annonacin
  • (5S)-5-Methyl-3-[(2R,8R,13R)-2,8,13-trihydroxy-13-[[(2R)-tetrahydro-5α-[(R)-1-hydroxytridecyl]furan]-2β-yl]tridecyl]-2(5H)-furanone
  • アノナシン
CAS registry number： 111035-65-5
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