(2aR,3S,4S,5aS,5bS,7aR,11aS,12aS)-3-((S)-1-(dimethylamino)ethyl)-4-hydroxy-2a,5a,8,8-tetramethyl-1,2,2a,3,4,5,5a,5b,6,7,7a,8-dodecahydro-9H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-one

Catalog No. :
ACGZQN013
CAS No. :
390362-51-3
Molecular Formula :
C26H41NO2
Molecular Weight :
399.62

IUPAC Name:(2aR,3S,4S,5aS,5bS,7aR,11aS,12aS)-3-((S)-1-(dimethylamino)ethyl)-4-hydroxy-2a,5a,8,8-tetramethyl-1,2,2a,3,4,5,5a,5b,6,7,7a,8-dodecahydro-9H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-one

(2aR,3S,4S,5aS,5bS,7aR,11aS,12aS)-3-((S)-1-(dimethylamino)ethyl)-4-hydroxy-2a,5a,8,8-tetramethyl-1,2,2a,3,4,5,5a,5b,6,7,7a,8-dodecahydro-9H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-one structure diagram
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Product Information

Product Name(2aR,3S,4S,5aS,5bS,7aR,11aS,12aS)-3-((S)-1-(dimethylamino)ethyl)-4-hydroxy-2a,5a,8,8-tetramethyl-1,2,2a,3,4,5,5a,5b,6,7,7a,8-dodecahydro-9H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-one
IUPAC Name(2aR,3S,4S,5aS,5bS,7aR,11aS,12aS)-3-((S)-1-(dimethylamino)ethyl)-4-hydroxy-2a,5a,8,8-tetramethyl-1,2,2a,3,4,5,5a,5b,6,7,7a,8-dodecahydro-9H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-one
Molecular FormulaC26H41NO2
Molecular Weight399.62
SMILESC[C@@H]([C@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)N(C)C
InChI KeyNZZQZWQHKWTQRO-YKKKOGGMSA-N
SynonymBuxbodine B;9,19-Cyclopregn-1-en-3-one, 20-(dimethylamino)-16-hydroxy-4,4,14-trimethyl-, (5α,16β,20S)-
CAS No.390362-51-3

Synthetic Route by SureRoute

1. ACGZQN013 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGZQN013 route product structure diagram
    ACGZQN013390362-51-3
Inquiry

2. ACGZQN013 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACGZQN013 route product structure diagram
    ACGZQN013390362-51-3
Inquiry

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