Account (2α,3β,8α,13α,14β,17α,18β,19β,20β)-2-(Acetyloxy)-19,20-dihydroxy-13,17-dimethyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl β-D-glucopyranoside
- Catalog No. :
- ACAMVU051
- CAS No. :
- 1367350-29-5
- Molecular Formula :
- C38H62O10
- Molecular Weight :
- 678.90
IUPAC Name:(1R,2S,3R,3aR,5aR,5bR,7aR,9R,10R,11aS,13aS,13bR)-1,2-dihydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-10-yl acetate
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Product Information
| Product Name | (2α,3β,8α,13α,14β,17α,18β,19β,20β)-2-(Acetyloxy)-19,20-dihydroxy-13,17-dimethyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl β-D-glucopyranoside |
|---|---|
| IUPAC Name | (1R,2S,3R,3aR,5aR,5bR,7aR,9R,10R,11aS,13aS,13bR)-1,2-dihydroxy-3-isopropyl-3a,5a,8,8,11a,13a-hexamethyl-9-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysen-10-yl acetate |
| Molecular Formula | C38H62O10 |
| Molecular Weight | 678.90 |
| SMILES | CC(=O)O[C@@H]1C[C@]2(C)C3=CC[C@@]4(C)[C@@H]5[C@@H](O)[C@@H](O)[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C(C)(C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | IFFDZLRWLNUFOX-OXJLYVLDSA-N |
| Synonym | β-D-Glucopyranoside, (2α,3β,8α,13α,14β,17α,18β,19β,20β)-2-(acetyloxy)-19,20-dihydroxy-13,17-dimethyl-A'-neo-26,28-dinorgammacer-9(11)-en-3-yl;Peniciside |
| CAS No. | 1367350-29-5 |
Synthetic Route by SureRoute
2. ACAMVU051 Molecular Building Block Synthetic Route
(R)-1-((2S,4aR,4bS,7R,8aS)-2,4b,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl)ethane-1,2-diyl diacetate
Hythiemoside A
(2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-(((3S,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol