Chem
J-GLOBAL ID:200907034664719977   Nikkaji number:J2.122.592D

6α-[10-[2-Methoxy-3,3,3-trifluoro-2-phenylpropionyl]-9,12-dioxahexacosane-1-yl]-1β,4β-cyclo-1,2,3,4,4aα,4bβ,5,6,7,8,8aβ,8bα-dodecahydrobiphenylene

6α-[10-[2-メトキシ-3,3,3-トリフルオロ-2-フェニルプロピオニル]-9,12-ジオキサヘキサコサン-1-イル]-1β,4β-シクロ-1,2,3,4,4aα,4bβ,5,6,7,8,8aβ,8bα-ドデカヒドロビフェニレン
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: C46H73F3O4
Molecular formula furigana: C46-H73-F3-O4
Molecular weight: 747.081
InChI: InChI=1S/C46H73F3O4/c1-3-4-5-6-7-8-9-10-11-13-16-22-31-52-34-41(44(50)45(51-2,46(47,48)49)36-25-20-18-21-26-36)53-32-23-17-14-12-15-19-24-35-27-28-39-40(33-35)43-38-30-29-37(38)42(39)43/h18,20-21,25-26,35,37-43H,3-17,19,22-24,27-34H2,1-2H3/t35-,37-,38+,39+,40-,41?,42-,43+,45?/m1/s1
InChI key: JFHDLBCFAHJEEA-ITSLFWOWSA-N
SMILES: CCCCCCCCCCCCCCOCC(OCCCCCCCC[C@@H]1CC[C@H]2[C@@H](C1)[C@@H]1[C@H]3CC[C@H]3[C@H]21)C(=O)C(OC)(c1ccccc1)C(F)(F)F
Systematic name  (3):
  • 6α-[10-[2-メトキシ-3,3,3-トリフルオロ-2-フェニルプロピオニル]-9,12-ジオキサヘキサコサン-1-イル]-1β,4β-シクロ-1,2,3,4,4aα,4bβ,5,6,7,8,8aβ,8bα-ドデカヒドロビフェニレン
  • 1,1,1-トリフルオロ-2-メトキシ-2-フェニル-4-({8-[(1S,2R,3R,6S,7S,8R,10R)-テトラシクロ[6.4.0.02,7.03,6]ドデカン-10-イル]オクチル}オキシ)-5-(テトラデシルオキシ)ペンタン-3-オン
  • 1,1,1-trifluoro-2-methoxy-2-phenyl-4-({8-[(1S,2R,3R,6S,7S,8R,10R)-tetracyclo[6.4.0.02,7.03,6]dodecan-10-yl]octyl}oxy)-5-(tetradecyloxy)pentan-3-one
Other name (1):
  • 6α-[10-[2-Methoxy-3,3,3-trifluoro-2-phenylpropionyl]-9,12-dioxahexacosane-1-yl]-1β,4β-cyclo-1,2,3,4,4aα,4bβ,5,6,7,8,8aβ,8bα-dodecahydrobiphenylene
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