Account (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
- Catalog No. :
- ACALPN956
- CAS No. :
- 149252-87-9
- Molecular Formula :
- C31H50O3
- Molecular Weight :
- 470.74
IUPAC Name:(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,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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD20260625 |
| Molecular Formula | C31H50O3 |
| Molecular Weight | 470.74 |
| SMILES | C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C)C(C)C |
| InChI Key | RLRGKMMFFVWPHT-NUYPAGBLSA-N |
| Synonym | 1-Dehydroxy-23-deoxojessic acid;(3beta,4alpha)-3-Hydroxy-24-methylene-9,19-cyclolanostan-28-oic acid;9,19-Cyclolanostan-28-oic acid, 3-hydroxy-24-methylene-, (3β,4α)-;(3β4α)-3-Hydroxy-24-methylene-919-cyclolanostan-28-oicacid;3-Hydroxy-24-methylenecycloartan-28-oic acid |
| CAS No. | 149252-87-9 |
Synthetic Route by SureRoute
2. ACALPN956 Molecular Building Block Synthetic Route
23-deoxojessic acid
3-hydroxy-4,11b-dimethyl-8-methylenetetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
(1R,3aR,5aR,5bR,7aR,8R,9R,11aR,11bR,13aR,13bR)-9-hydroxy-3a,5a,5b,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysene-8-carboxylic acid