Account (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
- Catalog No. :
- ACKAEC118
- CAS No. :
- 80832-44-6
- Molecular Formula :
- C39H54O6
- Molecular Weight :
- 618.85
IUPAC Name:(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
![(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid |
|---|---|
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid |
| Molecular Formula | C39H54O6 |
| Molecular Weight | 618.85 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| InChI Key | MNUNUJQYFJZRHQ-VZLLCJDWSA-N |
| Synonym | pyracrenic acid;Lup-20(29)-en-28-oic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3β)- |
| CAS No. | 80832-44-6 |
Synthetic Route by SureRoute
2. ACKAEC118 Molecular Building Block Synthetic Route
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl (E)-3-(3,4-dihydroxyphenyl)acrylate
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-1H-cyclopenta[a]chrysen-9-yl (E)-3-(4-hydroxyphenyl)acrylate