(2S,3S,3aR,4R,5R,6S,6aR,7R,8S,9S,10R,10aR,10bS)-8-(benzoyloxy)-10a-hydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)dodecahydro-1H-3a,5-epoxybenzo[e]azulene-3,4,6,7,9-pentayl pentaacetate

Catalog No. :
ACBOIV881
CAS No. :
1254956-09-6
Molecular Formula :
C37H46O14
Molecular Weight :
714.76

IUPAC Name:(2S,3S,3aR,4R,5R,6S,6aR,7R,8S,9S,10R,10aR,10bS)-8-(benzoyloxy)-10a-hydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)dodecahydro-1H-3a,5-epoxybenzo[e]azulene-3,4,6,7,9-pentayl pentaacetate

(2S,3S,3aR,4R,5R,6S,6aR,7R,8S,9S,10R,10aR,10bS)-8-(benzoyloxy)-10a-hydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)dodecahydro-1H-3a,5-epoxybenzo[e]azulene-3,4,6,7,9-pentayl pentaacetate structure diagram
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Product Information

Product Name(2S,3S,3aR,4R,5R,6S,6aR,7R,8S,9S,10R,10aR,10bS)-8-(benzoyloxy)-10a-hydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)dodecahydro-1H-3a,5-epoxybenzo[e]azulene-3,4,6,7,9-pentayl pentaacetate
IUPAC Name(2S,3S,3aR,4R,5R,6S,6aR,7R,8S,9S,10R,10aR,10bS)-8-(benzoyloxy)-10a-hydroxy-2,5,10-trimethyl-8-(prop-1-en-2-yl)dodecahydro-1H-3a,5-epoxybenzo[e]azulene-3,4,6,7,9-pentayl pentaacetate
Molecular FormulaC37H46O14
Molecular Weight714.76
SMILESC=C(C)[C@@]1(OC(=O)C2=CC=CC=C2)[C@H](OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@@]3(C)O[C@@]4([C@@H]3OC(C)=O)[C@@H](OC(C)=O)[C@@H](C)C[C@H]4[C@@]2(O)[C@H](C)[C@@H]1OC(C)=O
InChI KeyLBHUCMJWTBGOHY-WWWIWWQGSA-N
SynonymTrigonothyrin D;3a,5-Methano-3aH-benzo[d]cyclopent[b]oxepin-3,6,7,8,9,10a,11(5H)-heptol, decahydro-2,5,10-trimethyl-8-(1-methylethenyl)-, 3,6,7,9,11-pentaacetate 8-benzoate, (2S,3S,3aR,5R,6S,6aS,7R,8S,9S,10R,10aR,10bS,11R)-
CAS No.1254956-09-6

Synthetic Route by SureRoute

1. ACBOIV881 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. ACBOIV881 route product structure diagram
    ACBOIV8811254956-09-6
Inquiry

2. ACBOIV881 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. ACCSVD432 route compound structure diagram
    ACCSVD432532-31-0 In Stock
  4. Then
  5. ACBOIV881 route product structure diagram
    ACBOIV8811254956-09-6
Inquiry

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