Chem
J-GLOBAL ID:200907024256981587   Nikkaji number:J2.498.644F

Ferotocotrimer C

フェロトコトリマーC
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: C86H142O6
Molecular formula furigana: C86-H142-O6
Molecular weight: 1272.076
InChI: InChI=1S/C86H142O6/c1-57(2)31-22-34-60(7)37-25-40-63(10)43-28-48-81(19)51-46-72-74-55-84-54-53-83(21,50-30-45-65(12)42-27-39-62(9)36-24-33-59(5)6)92-86(84,91-79(74)69(16)67(14)76(72)88-81)71(18)70(17)80(87)85(84)56-75-73-47-52-82(20,89-77(73)66(13)68(15)78(75)90-85)49-29-44-64(11)41-26-38-61(8)35-23-32-58(3)4/h57-65H,22-56H2,1-21H3/t60?,61?,62?,63?,64?,65?,81-,82+,83+,84-,85?,86-/m0/s1
InChI key: XGVMASJYFHMXGH-VRAQGUOTSA-N
SMILES: CC(C)CCCC(C)CCCC(C)CCC[C@]1(C)CCc2c3CC4(Oc3c(C)c(C)c2O1)C(=O)C(=C(C)[C@@]12Oc3c(C)c(C)c5O[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)CCc5c3C[C@@]41CC[C@@](C)(CCCC(C)CCCC(C)CCCC(C)C)O2)C
Systematic name  (3):
  • (3S,7′R,7aR,11aS)-1,1′,2,3,7′,7a,8′,9′,11a,12-デカヒドロ-3,4′,5,5′,6,7′,8,9-オクタメチル-3,7′-ビス(4,8,12-トリメチルトリデシル)-7a,11a-[オキシ[(1R)-1-メチル-1-(4,8,12-トリメチルトリデシル)トリメチレン]]スピロ[ピラノ[3,2-a]キサンテン-11(10H),2′-[2H]フロ[3,2-f][1]ベンゾピラン]-10-オン
  • (1S,7S,11'R,14R,21R)-7,7',8',10,11,11',15,16,21-ノナメチル-7,11',21-トリス(4,8,12-トリメチルトリデシル)-5',8,10',13,22-ペンタオキサスピロ[ペンタシクロ[12.4.4.01,14.03,12.04,9]ドコサン-18,4'-トリシクロ[7.4.0.02,6]トリデカン]-1',3,6',8',9,11,15-ヘプタエン-17-オン
  • (1S,7S,11'R,14R,21R)-7,7',8',10,11,11',15,16,21-nonamethyl-7,11',21-tris(4,8,12-trimethyltridecyl)-5',8,10',13,22-pentaoxaspiro[pentacyclo[12.4.4.01,14.03,12.04,9]docosane-18,4'-tricyclo[7.4.0.02,6]tridecane]-1',3,6',8',9,11,15-heptaen-17-one
Other name (3):
  • (3S,7′R,7aR,11aS)-1,1′,2,3,7′,7a,8′,9′,11a,12-Decahydro-3,4′,5,5′,6,7′,8,9-octamethyl-3,7′-bis(4,8,12-trimethyltridecyl)-7a,11a-[oxy[(1R)-1-methyl-1-(4,8,12-trimethyltridecyl)trimethylene]]spiro[pyrano[3,2-a]xanthene-11(10H),2′-[2H]furo[3,2-f][1]benzopyran]-10-one
  • フェロトコトリマーC
  • Ferotocotrimer C
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