(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol

Catalog No. :
ACIKFZ458
CAS No. :
1001100-69-1
Molecular Formula :
C21H30O3
Molecular Weight :
330.47

IUPAC Name:(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol

(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol structure diagram
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Product Information

Product Name(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol
IUPAC Name(3S,7R,8R,9S,10R,13S,14S,17R)-17-ethynyl-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol
Molecular FormulaC21H30O3
Molecular Weight330.47
SMILESC#C[C@]1(O)CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
InChI KeyJJKOQZHWYLMASZ-FJWDNACWSA-N
SynonymPregn-5-en-20-yne-3,7,17-triol, (3β,7β,17α)-;HE 3286;HE3286;HE-3286;Triolex;Bifeprunox Impurity 41
CAS No.1001100-69-1
PubChem CID16739648

Synthetic Route by SureRoute

1. ACIKFZ458 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACIKFZ458 route product structure diagram
    ACIKFZ4581001100-69-1
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2. ACIKFZ458 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACIKFZ458 route product structure diagram
    ACIKFZ4581001100-69-1
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