Account (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one
- Catalog No. :
- ACBLYX318
- CAS No. :
- 7020-34-0
- Molecular Formula :
- C30H48O2
- Molecular Weight :
- 440.71
IUPAC Name:(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one
![(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one |
|---|---|
| IUPAC Name | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-9H-cyclopenta[a]chrysen-9-one |
| Molecular Formula | C30H48O2 |
| Molecular Weight | 440.71 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
| InChI Key | JYDNKGUBLIKNAM-CNRMHUMKSA-N |
| Synonym | Betulone;3-Oxobetulin;28-hydroxy-lup-20(29)-en-3-one |
| CAS No. | 7020-34-0 |
Synthetic Route by SureRoute
2. ACBLYX318 Molecular Building Block Synthetic Route
3-Oxolup-20(29)-en-28-oic Acid
(1R,3aS,5aR,5bR,7aR,10aR,10bR,12aR,12bR)-5a,5b,8,8,10a-pentamethyl-9-oxo-1-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-3a(1H)-carboxylic acid
(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-1-(3-hydroxyprop-1-en-2-yl)-3a,5a,5b,8,8,11a-hexamethylicosahydro-9H-cyclopenta[a]chrysen-9-one