Account 23-deoxojessic acid
- Catalog No. :
- ACAFDM543
- CAS No. :
- 215609-93-1
- Molecular Formula :
- C31H50O4
- Molecular Weight :
- 486.74
IUPAC Name:(2aR,3R,5aS,5bS,7aR,8S,9S,11S,11aS,12aS)-9,11-dihydroxy-2a,5a,8-trimethyl-3-((R)-6-methyl-5-methyleneheptan-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid
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Product Information
| Product Name | 23-deoxojessic acid |
|---|---|
| IUPAC Name | (2aR,3R,5aS,5bS,7aR,8S,9S,11S,11aS,12aS)-9,11-dihydroxy-2a,5a,8-trimethyl-3-((R)-6-methyl-5-methyleneheptan-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid |
| MDL No. | MFCD20260671 |
| Molecular Formula | C31H50O4 |
| Molecular Weight | 486.74 |
| SMILES | O[C@@H]1[C@]23[C@]4([C@]([C@@]5(C)[C@](C)(CC4)[C@@]([C@@H](CCC(C(C)C)=C)C)(CC5)[H])(CC[C@]2([C@@](C(O)=O)(C)[C@@H](O)C1)[H])[H])C3 |
| InChI Key | JAIDDVHUAQNJDH-AWYYEBERSA-N |
| Synonym | 23-deoxojessic acid;(1alpha,3beta,4alpha)-1,3-Dihydroxy-24-methylene-9,19-cyclolanostan-28-oic acid;9,19-Cyclolanostan-28-oic acid, 1,3-dihydroxy-24-methylene-, (1α,3β,4α)- (9CI) |
| CAS No. | 215609-93-1 |
Synthetic Route by SureRoute
2. ACAFDM543 Molecular Building Block Synthetic Route
(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
(2aR,3R,5aS,5bS,7aR,8S,9S,11S,11aS,12aS)-9,11-dihydroxy-2a,5a,8-trimethyl-3-((R)-6-methyl-4-oxohept-5-en-2-yl)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-8-carboxylic acid
3-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid