Account FR171456
- Catalog No. :
- ACZHWA643
- CAS No. :
- 168986-58-1
- Molecular Formula :
- C30H44O7
- Molecular Weight :
- 516.67
IUPAC Name:(1R,2aR,3R,5aR,5bS,7aR,8S,9S,11aS,12aR)-1,5b,9-trihydroxy-2a,8-dimethyl-3-((R)-6-methyl-5-methyleneheptan-2-yl)-7,11-dioxotetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid
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Product Information
| Product Name | FR171456 |
|---|---|
| IUPAC Name | (1R,2aR,3R,5aR,5bS,7aR,8S,9S,11aS,12aR)-1,5b,9-trihydroxy-2a,8-dimethyl-3-((R)-6-methyl-5-methyleneheptan-2-yl)-7,11-dioxotetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid |
| Molecular Formula | C30H44O7 |
| Molecular Weight | 516.67 |
| SMILES | O=C([C@]([C@@]12[H])(C)[C@@H](O)CC([C@]13[C@]4(C3)[C@H](O)C[C@@]([C@@H]([C@@H](CCC(C(C)C)=C)C)CC5)(C)[C@]5([H])[C@@]4(O)CC2=O)=O)O |
| InChI Key | JAHGNOXPMXOEJS-BSPLYONXSA-N |
| Synonym | 9,19-Cycloergost-24(28)-ene-4-carboxylic acid, 3,8,11-trihydroxy-4-methyl-1,6-dioxo-, (3β,4α,5α,8α,11α)-;FR171456 |
| CAS No. | 168986-58-1 |
Synthetic Route by SureRoute
2. ACZHWA643 Molecular Building Block Synthetic Route
23-deoxojessic acid
(2aR,3R,5aS,5bS,7aR,8S,9S,11aR,12aS)-9-hydroxy-2a,5a,8-trimethyl-3-((R)-6-methyl-5-methyleneheptan-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid
1-(1-hydroxy-4-oxocyclohexyl)cyclopropane-1-carboxylic acid