Account (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
- Catalog No. :
- ACFOUO638
- CAS No. :
- 144424-80-6
- Molecular Formula :
- C39H56O4
- Molecular Weight :
- 588.87
IUPAC Name:(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
![(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 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)-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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD20260772 |
| Molecular Formula | C39H56O4 |
| Molecular Weight | 588.87 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/C6=CC=C(O)C=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| InChI Key | FKTQBZHKUPHHSC-LNVBJZNQSA-N |
| Synonym | Coumaroylbetulin3-O-(E)-p-;3-O-(E)-p-Coumaroylbetulin;3-(E)-Trans coumaroylbetulin;Lup-20(29)-ene-3,28-diol, 3-[(2E)-3-(4-hydroxyphenyl)-2-propenoate], (3β)-;3-(E)-p-Coumaroylbetulin/3-O-(E)-p-Coumaroylbetulin |
| CAS No. | 144424-80-6 |
Synthetic Route by SureRoute
2. ACFOUO638 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
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl (E)-3-(4-hydroxyphenyl)acrylate
(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