Account Cimilactone A
- Catalog No. :
- ACINVP779
- CAS No. :
- 468733-06-4
- Molecular Formula :
- C33H50O9
- Molecular Weight :
- 590.75
IUPAC Name:(2aR,4S,6aR,7aR,9R,9aR,9bR,10R,13aS,14aS,14bS)-3,3,9a,10,14a-pentamethyl-12-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)octadecahydro-7H-cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-9-yl acetate
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Product Information
| Product Name | Cimilactone A |
|---|---|
| IUPAC Name | (2aR,4S,6aR,7aR,9R,9aR,9bR,10R,13aS,14aS,14bS)-3,3,9a,10,14a-pentamethyl-12-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)octadecahydro-7H-cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran-9-yl acetate |
| Molecular Formula | C33H50O9 |
| Molecular Weight | 590.75 |
| SMILES | CC(O[C@@H]([C@@]12C)C[C@]34[C@](CC[C@@]5([H])C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)CO6)CC[C@@]53C4)([H])[C@]1(C)C[C@@]7([H])[C@]2([H])[C@H](C)CC(O7)=O)=O |
| InChI Key | RKTWPXXLEHCPIO-DWWJFHMPSA-N |
| Synonym | Cimilactone A;PubChem ID: 10908062;9,19-Cyclo-24-norcholan-23-oic acid, 12-(acetyloxy)-16-hydroxy-4,4,14-trimethyl-3-(β-D-xylopyranosyloxy)-, δ-lactone, (3β,5α,12β,16β)- |
| CAS No. | 468733-06-4 |
Synthetic Route by SureRoute
2. ACINVP779 Molecular Building Block Synthetic Route
Cimiracemoside D
rel-[6-[(β-D-Glucopyranosyloxy)methyl]octahydro-5-hydroxy-9-(1-hydroxy-1-methylethyl)-5a-methyl-1,4-methano-2H-cyclopent[d]oxepin-2-on
(3R,4R,5R,6S)-4,5-dihydroxy-6-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-3-yl acetate