S-((4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9R)-4a,6a-dimethyl-2,5'-dioxo-2,4a,4b,4',5',6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-3'H,5H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-9-yl) ethanethioate

Catalog No. :
ACOTXM084
CAS No. :
87952-98-5
Molecular Formula :
C25H30O4S
Molecular Weight :
426.58

IUPAC Name:S-((4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9R)-4a,6a-dimethyl-2,5'-dioxo-2,4a,4b,4',5',6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-3'H,5H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-9-yl) ethanethioate

S-((4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9R)-4a,6a-dimethyl-2,5'-dioxo-2,4a,4b,4',5',6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-3'H,5H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-9-yl) ethanethioate structure diagram
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Product Information

Product NameS-((4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9R)-4a,6a-dimethyl-2,5'-dioxo-2,4a,4b,4',5',6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-3'H,5H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-9-yl) ethanethioate
IUPAC NameS-((4aR,4bS,6aS,7S,7aS,8aS,8bS,8cR,9R)-4a,6a-dimethyl-2,5'-dioxo-2,4a,4b,4',5',6,6a,7a,8,8a,8b,8c,9,10-tetradecahydro-3'H,5H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-9-yl) ethanethioate
MDL No.MFCD00867340
Molecular FormulaC25H30O4S
Molecular Weight426.58
SMILESCC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12
InChI KeyCPHJTSJQUQZOLJ-ISIDMKFXSA-N
Synonym15.ALPHA.,16.ALPHA.-DIHYDRO-17-HYDROXY-7.ALPHA.-MERCAPTO-3-OXO-3'H-CYCLOPROPA(15,16)-17.ALPHA.-PREGNA-1,4,15-TRIENE-21-CARBOXYLIC ACID, G-LACTONE, ACETATE | 15alpha,16alpha-Dihydro-17-hydroxy-7alpha-mercapto-3-oxo-3'H-cyclopropa(15,16)-17alpha-pregna-1,4,
CAS No.87952-98-5
PubChem CID65660

Synthetic Route by SureRoute

1. ACOTXM084 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACOTXM084 route product structure diagram
    ACOTXM08487952-98-5
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2. ACOTXM084 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. ACOTXM084 route product structure diagram
    ACOTXM08487952-98-5
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