Account (R)-6-hydroxy-2-methyl-5-oxo-6-((2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl acetate
- Catalog No. :
- ACIKPR094
- CAS No. :
- 58546-34-2
- Molecular Formula :
- C32H50O8
- Molecular Weight :
- 562.74
IUPAC Name:(R)-6-hydroxy-2-methyl-5-oxo-6-((2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl acetate
![(R)-6-hydroxy-2-methyl-5-oxo-6-((2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl acetate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (R)-6-hydroxy-2-methyl-5-oxo-6-((2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl acetate |
|---|---|
| IUPAC Name | (R)-6-hydroxy-2-methyl-5-oxo-6-((2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptan-2-yl acetate |
| MDL No. | MFCD07781419 |
| Molecular Formula | C32H50O8 |
| Molecular Weight | 562.74 |
| SMILES | CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C |
| InChI Key | LKYNAQSYQLFTCM-GYXNDICUSA-N |
| Synonym | Q-100672 | [(6R)-6-hydroxy-2-methyl-5-oxo-6-[(2S,3S,8S,9R,10R,13R,14S,16R,17R)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate | Dihydrocucurbitacin Q1 | 1,2,16,20-Tetr |
| CAS No. | 58546-34-2 |
| PubChem CID | 181183 |
Synthetic Route by SureRoute
2. ACIKPR094 Molecular Building Block Synthetic Route
Hemslecin D
(2S,3S,8S,9R,10R,13R,14S,16R,17R)-17-((R)-2,6-Dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,4,7,8,9,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one
(R)-6-((2S,8S,9R,10R,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-hydroxy-2-methyl-5-oxoheptan-2-yl acetate