Account Yuanhuafin
- Catalog No. :
- ACYNSA819
- CAS No. :
- 82870-43-7
- Molecular Formula :
- C29H32O10
- Molecular Weight :
- 540.57
IUPAC Name:(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-6-oxo-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6H-2,8b-epoxyoxireno[2'',3'':6',7']azuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-10-yl acetate
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Product Information
| Product Name | Yuanhuafin |
|---|---|
| IUPAC Name | (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-6-oxo-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6H-2,8b-epoxyoxireno[2'',3'':6',7']azuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-10-yl acetate |
| Molecular Formula | C29H32O10 |
| Molecular Weight | 540.57 |
| SMILES | C=C(C)[C@@]12O[C@@]3(C4=CC=CC=C4)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=C[C@H]4[C@@]1(O3)[C@H](C)[C@H]2OC(C)=O |
| InChI Key | YUNIKDZHTDZEHX-DBRWXJJLSA-N |
| Synonym | 6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-phenyl-, (2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-;Yuanhuafin;Yuanhuafine |
| CAS No. | 82870-43-7 |
Synthetic Route by SureRoute
2. ACYNSA819 Molecular Building Block Synthetic Route
5,5a-dihydroxy-4a,7,9-trimethyl-6-oxo-2-phenyl-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6H-2,8b-epoxyoxireno[2'',3'':6',7']azuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-10-yl benzoate
Yuanhuacine
(2S,3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-((1E,3E)-nona-1,3-dien-1-yl)-6-oxo-10a-(prop-1-en-2-yl)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-6H-2,8b-epoxyoxireno[2'',3'':6',7']azuleno[5',4':3,4]benzo[1,2-d][1,3]dioxol-10-yl acetate