Account methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1-dihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate
- Catalog No. :
- ACNDNO227
- CAS No. :
- 1007387-95-2
- Molecular Formula :
- C27H32O10
- Molecular Weight :
- 516.54
IUPAC Name:methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1-dihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate
![methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1-dihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1-dihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate |
|---|---|
| IUPAC Name | methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1-dihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate |
| MDL No. | MFCD20274890 |
| Molecular Formula | C27H32O10 |
| Molecular Weight | 516.54 |
| SMILES | COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](C5=COC=C5)OC(=O)C[C@@]45O[C@H]4C(=O)[C@]1(C)C[C@]2(O)[C@H]4[C@@]35O |
| InChI Key | HOUJKWFMLMSPNW-DUHTYQCCSA-N |
| Synonym | 1-O-Deacetylkhayalide E;1-O-Deacetylkhayanolide E;Deacetylkhayanolide E;8,10-Methano-7H-pentaleno[1,2,3-cd]pyrano[3,4-h]benzofuran-7-acetic acid, 4-(3-furanyl)tetradecahydro-α,9a,11b-trihydroxy-4a,6b,8-trimethyl-2,12-dioxo-, methyl ester, (αS,4S,4aS,6aR,6bS,7R,8R,9aS,9bS,10R,11aR,11bS)- |
| CAS No. | 1007387-95-2 |
Synthetic Route by SureRoute
2. ACNDNO227 Molecular Building Block Synthetic Route
methyl (S)-2-((2R,3aS,3a1S,4S,4aR,4a1S,6aS,7S,10aR,11aR,12R)-7-(furan-3-yl)-3a,4a1,11a-trihydroxy-2,4,6a-trimethyl-1,9-dioxotetradecahydro-1H-2,4-methanoindeno[7,1,2-bcd]pyrano[3,4-h]benzofuran-12-yl)-2-hydroxyacetate
12-(furan-3-yl)-6,6,8a,12a-tetramethyl-3,8,10-trioxotetradecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromen-7-yl acetate
(4aS,6aS,8R,8aS,8bR,9aS,12S,12aS,14aR,14bR)-12-(furan-3-yl)-6,6,8a,12a-tetramethyl-3,7,10-trioxotetradecahydro-1H,3H-oxireno[2,3-d]pyrano[4',3':3,3a]isobenzofuro[5,4-f]isochromen-8-yl acetate