Account (1R,3R)-1-((S)-3,3-Dimethyloxiran-2-yl)-3-((2aR,3R,5R,5aS,5bR,7aR,9S,11aR,12aS)-5-hydroxy-2a,5a,8,8-tetramethyl-4-oxo-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)butyl ace
- Catalog No. :
- ACJAXA769
- CAS No. :
- 62498-88-8
- Molecular Formula :
- C37H58O10
- Molecular Weight :
- 662.86
IUPAC Name:(1R,3R)-1-((S)-3,3-dimethyloxiran-2-yl)-3-((2aR,3R,5R,5aS,5bR,7aR,9S,11aR,12aS)-5-hydroxy-2a,5a,8,8-tetramethyl-4-oxo-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)butyl acetate
![(1R,3R)-1-((S)-3,3-Dimethyloxiran-2-yl)-3-((2aR,3R,5R,5aS,5bR,7aR,9S,11aR,12aS)-5-hydroxy-2a,5a,8,8-tetramethyl-4-oxo-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)butyl ace structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,3R)-1-((S)-3,3-Dimethyloxiran-2-yl)-3-((2aR,3R,5R,5aS,5bR,7aR,9S,11aR,12aS)-5-hydroxy-2a,5a,8,8-tetramethyl-4-oxo-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)butyl ace |
|---|---|
| IUPAC Name | (1R,3R)-1-((S)-3,3-dimethyloxiran-2-yl)-3-((2aR,3R,5R,5aS,5bR,7aR,9S,11aR,12aS)-5-hydroxy-2a,5a,8,8-tetramethyl-4-oxo-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-3-yl)butyl acetate |
| Molecular Formula | C37H58O10 |
| Molecular Weight | 662.86 |
| SMILES | C[C@@]12[C@@H](O)C([C@@]([C@@]1(C)CC[C@@]34C[C@@]35CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@]5(CC[C@]42[H])[H])([C@@H](C[C@@H](OC(C)=O)[C@@]7(OC7(C)C)[H])C)[H])=O |
| InChI Key | IHEJMZHKJYHVFF-JUKRZFGDSA-N |
| Synonym | ACETYL-SHENGMANOL XYLOSIDE, 23-O-;23-O-ACETYL SHENGMANOL XYLOSIDE;23-O-Acetylshengmanol 3-O-beta-D-xyloside;Acetylshengmanol-xylosid;9,19-Cyclolanostan-16-one, 23-(acetyloxy)-24,25-epoxy-15-hydroxy-3-(β-D-xylopyranosyloxy)-, (3β,15α,23R,24S)-;23-O-Acetylshengmanol3-O-β-D-xyloside;23-Acetylshengmanol 3-O-β-D-xylopyranoside;(3β,15α,23R,24S)-23-(Acetyloxy)-24,25-epoxy-15-hydroxy-3-(β-D-xylopyranosyloxy)-9,19-cyclolanostan-16-one |
| CAS No. | 62498-88-8 |
Safety Data
- Pictogram
- Signal Word
- Gefahr
- Hazard Statement(s)
- H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACJAXA769 Molecular Building Block Synthetic Route
Acetylcimigenol 3-o-alpha-l-arabinopyranside
(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxirene-11,12-diyl diacetate
(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl 2-methylbutanoate