Account WF 11605
- Catalog No. :
- ACFDDO216
- CAS No. :
- 127475-47-2
- Molecular Formula :
- C38H60O11
- Molecular Weight :
- 692.89
IUPAC Name:9-acetoxy-2,4a,7,7,10a,12a-hexamethyl-2-(3-methylbutan-2-yl)-3-oxo-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid
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Product Information
| Product Name | WF 11605 |
|---|---|
| IUPAC Name | 9-acetoxy-2,4a,7,7,10a,12a-hexamethyl-2-(3-methylbutan-2-yl)-3-oxo-8-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid |
| Molecular Formula | C38H60O11 |
| Molecular Weight | 692.89 |
| SMILES | CC(=O)OC1CC2(C)C3=C(CCC2C(C)(C)C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1(C)CC(=O)C(C)(C(C)C(C)C)C(C(=O)O)C1(C)CC3 |
| InChI Key | FBAPXRMZLULGNA-LNVJBOGRSA-N |
| Synonym | WF 11605;9-Acetoxy-2-(1,2-dimethylpropyl)-8-((beta-D-glucopyranosyl)oxy)-1,2,3,4,4A,5,6,6A,7,8,9,10,10A,11,12,12A-hexadecahydro-2,4A,7,7,10A,12A-hexamethyl-3-oxochrysene-1-carboxylic acid;D:C-Friedo-B':A'-neo-19,20-secogammacer-8-en-19-oic acid, 2-(acetyloxy)-3-(hexopyranosyloxy)-16-oxo-;1-Chrysenecarboxylic acid, 9-(acetyloxy)-2-[(1R)-1,2-dimethylpropyl]-8-(β-D-glucopyranosyloxy)-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydro-2,4a,7,7,10a,12a-hexamethyl-3-oxo-, (1S,2R,4aS,6aR,8R,9R,10aS,12aS)- |
| CAS No. | 127475-47-2 |
Synthetic Route by SureRoute
2. ACFDDO216 Molecular Building Block Synthetic Route
(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
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-3-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
Saponin PE