Chem
J-GLOBAL ID:200907011107051327   Nikkaji number:J2.652.561F

Frajunolide G

フラジュノリドG
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: C31H41ClO12
Molecular formula furigana: C31-H41-CL-O12
Molecular weight: 641.110
InChI: InChI=1S/C31H41ClO12/c1-15(2)12-22(35)39-13-23(36)43-20-9-8-16(3)24(32)26-31(38,17(4)28(37)44-26)27(42-19(6)34)25-29(20,7)21(41-18(5)33)10-11-30(25)14-40-30/h8-9,15,17,20-21,24-27,38H,3,10-14H2,1-2,4-7H3/b9-8-/t17-,20-,21-,24-,25+,26-,27-,29-,30-,31-/m0/s1
InChI key: CFWWBCJAJBSZLG-IYFUYUDPSA-N
SMILES: CC(C)CC(=O)OCC(=O)O[C@H]1/C=C\C(=C)[C@H](Cl)[C@@H]2OC(=O)[C@H](C)[C@@]2(O)[C@@H](OC(=O)C)[C@H]2[C@@]3(CO3)CC[C@H](OC(=O)C)[C@]12C
Systematic name  (3):
  • (1R,6Z,12R)-1β,8aα-ジメチル-4β-クロロ-5-メチレン-8α-[(3-メチルブチリルオキシ)アセトキシ]-9β,13α-ジアセトキシ-12,12-(エポキシメタノ)-13aβ-ヒドロキシ-3aα,4,5,8,8a,9,10,11,12,12aβ,13,13a-ドデカヒドロベンゾ[4,5]シクロデカ[1,2-b]フラン-2(1H)-オン
  • 2-[(1'S,2R,2'S,3'R,4'R,7'R,8'S,10'Z,12'S,13'R,14'S)-2',14'-ビス(アセチルオキシ)-8'-クロロ-3'-ヒドロキシ-4',13'-ジメチル-9'-メチリデン-5'-オキソ-6'-オキサスピロ[オキシラン-2,17'-トリシクロ[11.4.0.03,7]ヘプタデカン]-10'-エン-12'-イルオキシ]-2-オキソエチル 3-メチルブタノアート
  • 2-[(1'S,2R,2'S,3'R,4'R,7'R,8'S,10'Z,12'S,13'R,14'S)-2',14'-bis(acetyloxy)-8'-chloro-3'-hydroxy-4',13'-dimethyl-9'-methylidene-5'-oxo-6'-oxaspiro[oxirane-2,17'-tricyclo[11.4.0.03,7]heptadecan]-10'-en-12'-yloxy]-2-oxoethyl 3-methylbutanoate
Other name (3):
  • (1R,6Z,12R)-1β,8aα-Dimethyl-4β-chloro-5-methylene-8α-[(3-methylbutyryloxy)acetoxy]-9β,13α-diacetoxy-12,12-(epoxymethano)-13aβ-hydroxy-3aα,4,5,8,8a,9,10,11,12,12aβ,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-2(1H)-one
  • フラジュノリドG
  • Frajunolide G
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