Withaphysalin S

Catalog No. :
ACWBRG477
CAS No. :
949172-13-8
Molecular Formula :
C29H40O8
Molecular Weight :
516.63

IUPAC Name:(1S,3R,3aS,5S,5aS,5bR,7R,7aR,11aR,11bS,13aR)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5,7,7a-trihydroxy-1-methoxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,7,7a,8,11a,11b,12,13-tetradecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-11-one

Withaphysalin S structure diagram
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Product Information

Product NameWithaphysalin S
IUPAC Name(1S,3R,3aS,5S,5aS,5bR,7R,7aR,11aR,11bS,13aR)-3-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-5,7,7a-trihydroxy-1-methoxy-3,11a-dimethyl-3,3a,4,5,5a,5b,6,7,7a,8,11a,11b,12,13-tetradecahydro-1H,11H-naphtho[2',1':4,5]indeno[1,7a-c]furan-11-one
Molecular FormulaC29H40O8
Molecular Weight516.63
SMILESCO[C@@H]1[C@@]23[C@]([C@H](C[C@]3([H])[C@@](O1)([C@@]4([H])CC(C)=C(C(O4)=O)C)C)O)([H])[C@@]5([H])[C@]([C@@]6([C@@]([C@@H](C5)O)(CC=CC6=O)O)C)([H])CC2
InChI KeyNPXYPNIBFMPFKU-IIODSFQOSA-N
SynonymWithaphysalin S;Ergosta-2,24-dien-26-oic acid, 18,20-epoxy-5,6,15,22-tetrahydroxy-18-methoxy-1-oxo-, δ-lactone, (5α,6β,15α,18S,22R)-
CAS No.949172-13-8

Synthetic Route by SureRoute

1. ACWBRG477 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWBRG477 route product structure diagram
    ACWBRG477949172-13-8
Inquiry

2. ACWBRG477 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Then
  3. ACWBRG477 route product structure diagram
    ACWBRG477949172-13-8
Inquiry

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