Account (2S,3S,4S,5R,6R)-6-(((8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
- Catalog No. :
- ACOXFS931
- CAS No. :
- 1852-50-2
- Molecular Formula :
- C24H32O9
- Molecular Weight :
- 464.51
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
![(2S,3S,4S,5R,6R)-6-(((8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3S,4S,5R,6R)-6-(((8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-16-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C24H32O9 |
| Molecular Weight | 464.51 |
| SMILES | C[C@]12CC[C@@H]3C4=C(C=C(O)C=C4)CC[C@H]3[C@@H]1C[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2O |
| InChI Key | FQYGGFDZJFIDPU-JRSYHJKYSA-N |
| Synonym | ESTRIOL 16-GLUCURONIDE;ESTRIOL 16ALPHA-(BETA-D-GLUCURONIDE);3,16ALPHA,17BETA-TRIHYDROXY-1,3,5[10]-ESTRATRIENE 16-GLUCURONIDE;estriol 16A-(B-D-glucuronide);1,3,5(10)-estratriene-3,16α,17β-triol 16-glucuronide;1,3,5(10)-ESTRATRIEN-3,16-ALPHA, 17-BETA-TRIOL 16-GLUCOSIDURONATE;1,3,5[10]-ESTRATRIENE-3,16ALPHA,17BETA-TRIOL 16-GLUCURONIDE;Estriol-16beta-D-glucopyranosiduronic acid |
| CAS No. | 1852-50-2 |
Synthetic Route by SureRoute
2. ACOXFS931 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(((8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(((8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
sodium 3,4,5-trihydroxy-6-((13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl)oxy)tetrahydro-2H-pyran-2-carboxylate