Account Cascarillin
- Catalog No. :
- ACGOTX851
- CAS No. :
- 10118-56-6
- Molecular Formula :
- C22H32O7
- Molecular Weight :
- 408.49
IUPAC Name:(2R,3S,4S,4aS,7R,8R,8aR)-4-formyl-4-((R)-2-(furan-3-yl)-2-hydroxyethyl)-7,8-dihydroxy-3,8,8a-trimethyldecahydronaphthalen-2-yl acetate
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Product Information
| Product Name | Cascarillin |
|---|---|
| IUPAC Name | (2R,3S,4S,4aS,7R,8R,8aR)-4-formyl-4-((R)-2-(furan-3-yl)-2-hydroxyethyl)-7,8-dihydroxy-3,8,8a-trimethyldecahydronaphthalen-2-yl acetate |
| Molecular Formula | C22H32O7 |
| Molecular Weight | 408.49 |
| SMILES | CC(O[C@@H]1C[C@@]2(C)[C@@](C)(O)[C@H](O)CC[C@]2([H])[C@](C[C@H](C3=COC=C3)O)(C=O)[C@@H]1C)=O |
| InChI Key | ZOWKQQIGQBVKSV-BZLLESMPSA-N |
| Synonym | Cascarillin;(8aS)-3α-(Acetyloxy)-1β-[(R)-2-(3-furanyl)-2-hydroxyethyl]decahydro-5β,6α-dihydroxy-2α,4aα,5α-trimethyl-1α-naphthalenecarbaldehyde;1-Naphthalenecarboxaldehyde, 3-(acetyloxy)-1-[(2R)-2-(3-furanyl)-2-hydroxyethyl]decahydro-5,6-dihydroxy-2,4a,5-trimethyl-, (1S,2S,3R,4aR,5R,6R,8aS)- |
| CAS No. | 10118-56-6 |
Synthetic Route by SureRoute
2. ACGOTX851 Molecular Building Block Synthetic Route
9-(furan-3-yl)-2-hydroxy-10a-methyldodecahydro-4H,7H-isobenzofuro[7,1-fg]isochromene-4,7-dione
(2S,4aR,6S,6aS,7R,10R,11aR,11bS)-2-(Furan-3-yl)-11b-methyl-4,8-dioxododecahydro-1H-7,10-methanooxepino[4,5-f]isochromen-6-yl acetate
2-(Furan-3-yl)-6-hydroxy-11b-methyldecahydro-4H-7,10-methanooxepino[4,5-f]isochromene-4,8(4aH)-dione