Chem
J-GLOBAL ID：201007056587970305   Nikkaji number：J2.826.244B

Guyonianin E

グヨニアニンE
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： C31H40O8
Molecular formula furigana： C31-H40-O8
Molecular weight： 540.653
InChI： InChI=1S/C31H40O8/c1-18-13-14-24(34)30(6,7)16-15-19(2)28(38-22(5)33)31(36)17-20(3)27(25(31)26(18)37-21(4)32)39-29(35)23-11-9-8-10-12-23/h8-12,15-16,19-20,25-28,36H,1,13-14,17H2,2-7H3/b16-15+/t19-,20+,25+,26+,27+,28-,31-/m1/s1
InChI key： YUDUPXHLRNLYOP-IVRZHYJISA-N
SMILES： C[C@H]1C[C@@]2(O)[C@H]([C@H]1OC(=O)c1ccccc1)[C@@H](OC(=O)C)C(=C)CCC(=O)C(C)(C)/C=C/[C@@H](C)[C@H]2OC(=O)C
Systematic name  (3)：
  • (1R,2R,8E,10R,11R,12R,14S,15S)-3-メチレン-6-オキソ-7,7,10,14-テトラメチルビシクロ[10.3.0]ペンタデカン-8-エン-2,11,12,15-テトラオール2,11-ジアセタート15-ベンゾアート
  • (1S,2S,3aR,4R,5R,13R,13aR)-4,13-ビス(アセチルオキシ)-3a-ヒドロキシ-2,5,8,8-テトラメチル-12-メチリデン-9-オキソ-1H,2H,3H,3aH,4H,5H,8H,9H,10H,11H,12H,13H,13aH-シクロペンタ[12]アンヌレン-1-イル ベンゾアート
  • (1S,2S,3aR,4R,5R,13R,13aR)-4,13-bis(acetyloxy)-3a-hydroxy-2,5,8,8-tetramethyl-12-methylidene-9-oxo-1H,2H,3H,3aH,4H,5H,8H,9H,10H,11H,12H,13H,13aH-cyclopenta[12]annulen-1-yl benzoate
Other name (3)：
  • (1R,2R,8E,10R,11R,12R,14S,15S)-3-Methylene-6-oxo-7,7,10,14-tetramethylbicyclo[10.3.0]pentadecane-8-ene-2,11,12,15-tetraol 2,11-diacetate 15-benzoate
  • グヨニアニンE
  • Guyonianin E
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