Account Yuanhuacine
- Catalog No. :
- ACYWSM782
- CAS No. :
- 60195-70-2
- Molecular Formula :
- C37H44O10
- Molecular Weight :
- 648.75
IUPAC Name:(2S,3aR,3bS,3cS,4aR,5S,5aS,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 benzoate
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Product Information
| Product Name | Yuanhuacine |
|---|---|
| IUPAC Name | (2S,3aR,3bS,3cS,4aR,5S,5aS,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 benzoate |
| MDL No. | MFCD01684121 |
| Molecular Formula | C37H44O10 |
| Molecular Weight | 648.75 |
| SMILES | C=C(C)[C@@]12O[C@@]3(/C=C/C=C/CCCCC)O[C@@H]1[C@@H]1[C@@H]4O[C@]4(CO)[C@@H](O)[C@]4(O)C(=O)C(C)=CC4[C@@]1(O3)[C@H](C)[C@H]2OC(=O)C1=CC=CC=C1 |
| InChI Key | CGSGRJNIABXQJQ-MJISHTOWSA-N |
| Synonym | Yuanhuacine;gnidilatidin;(22E,24E)-12β-Benzoyloxy-22,23,24,25-tetradehydrosimplexin;Odoracin;From gnidia;Gnidia B644130K130 origin;Nsc261422;NSC 270919 |
| CAS No. | 60195-70-2 |
Synthetic Route by SureRoute
2. ACYWSM782 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
Yuanhuafin
(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