Chem
J-GLOBAL ID：200907086494616418   Nikkaji number：J1.071.491E

2-Fluoropodophyllotoxin

2-フルオロポドフィロトキシン
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： C22H21FO8
Molecular formula furigana： C22-H21-F-O8
Molecular weight： 432.400
InChI： InChI=1S/C22H21FO8/c1-26-16-4-10(5-17(27-2)20(16)28-3)18-11-6-14-15(31-9-30-14)7-12(11)19(24)13-8-29-21(25)22(13,18)23/h4-7,13,18-19,24H,8-9H2,1-3H3/t13-,18-,19+,22-/m1/s1
InChI key： RZEPSVUNUYUBJW-JQJYPRBLSA-N
SMILES： COc1cc(cc(OC)c1OC)[C@@H]1c2cc3OCOc3cc2[C@H](O)[C@H]2COC(=O)[C@]12F
Systematic name  (4)：
  • (5R)-5β-(3,4,5-トリメトキシフェニル)-5aα-フルオロ-9β-ヒドロキシ-5,5a,6,8,8aβ,9-ヘキサヒドロフロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6-オン
  • (5R)-5,5a,8aβ,9-テトラヒドロ-5aα-フルオロ-9β-ヒドロキシ-5β-(3,4,5-トリメトキシフェニル)フロ[3′,4′:6,7]ナフト[2,3-d]-1,3-ジオキソール-6(8H)-オン
  • (10R,11S,15R,16R)-11-フルオロ-16-ヒドロキシ-10-(3,4,5-トリメトキシフェニル)-4,6,13-トリオキサテトラシクロ[7.7.0.03,7.011,15]ヘキサデカ-1,3(7),8-トリエン-12-オン
  • (10R,11S,15R,16R)-11-fluoro-16-hydroxy-10-(3,4,5-trimethoxyphenyl)-4,6,13-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1,3(7),8-trien-12-one
Other name (4)：
  • (5R)-5β-(3,4,5-Trimethoxyphenyl)-5aα-fluoro-9β-hydroxy-5,5a,6,8,8aβ,9-hexahydrofuro[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-6-one
  • 2-フルオロポドフィロトキシン
  • 2-Fluoropodophyllotoxin
  • (5R)-5,5a,8aβ,9-Tetrahydro-5aα-fluoro-9β-hydroxy-5β-(3,4,5-trimethoxyphenyl)furo[3′,4′:6,7]naphtho[2,3-d]-1,3-dioxole-6(8H)-one
Thsaurus map：
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