Account Unii-btv2R9I8D4
- Catalog No. :
- ACYWSK382
- CAS No. :
- 151990-70-4
- Molecular Formula :
- C40H50O12
- Molecular Weight :
- 722.83
IUPAC Name:(1S,3S,4S,5R,6R,7R)-4,7-dihydroxy-1-((R,E)-5-methyl-8-phenyloct-3-en-1-yl)-6-(((R,E)-6-methyl-9-phenylnon-4-enoyl)oxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
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Product Information
| Product Name | Unii-btv2R9I8D4 |
|---|---|
| IUPAC Name | (1S,3S,4S,5R,6R,7R)-4,7-dihydroxy-1-((R,E)-5-methyl-8-phenyloct-3-en-1-yl)-6-(((R,E)-6-methyl-9-phenylnon-4-enoyl)oxy)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid |
| Molecular Formula | C40H50O12 |
| Molecular Weight | 722.83 |
| SMILES | O=C([C@H]1O[C@](O2)(CC/C=C/[C@H](C)CCCC3=CC=CC=C3)[C@H](O)[C@@H](OC(CC/C=C/[C@H](C)CCCC4=CC=CC=C4)=O)[C@]2(C(O)=O)[C@]1(O)C(O)=O)O |
| InChI Key | HPNWHOBVFZEFCZ-IMGBLTPTSA-N |
| Synonym | L-glycero-D-altro-Tridec-10-en-7-ulo-7,4-furanosonic acid, 2,7-anhydro-3,4-di-C-carboxy-8,9,10,11,12,13-hexadeoxy-12-(3-phenylpropyl)-, 5-[(4E)-6-methyl-9-phenyl-4-nonenoate], (7S,10E,12ξ)- (9CI);Zaragozic acid E |
| CAS No. | 151990-70-4 |
Synthetic Route by SureRoute
2. ACYWSK382 Molecular Building Block Synthetic Route
(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4S,5R)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-(((3S,5S,6S)-5-(((3S,5S,6S)-5-(((2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyloctanoyl)oxy)-3-hydroxy-6-methyloctanoyl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3-hydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-(((3S,5R,6aS,9S)-4a-(((3-acetoxy-2-methylbutanoyl)oxy)methyl)-4-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-3,5-epoxypicen-10-yl)oxy)-4-hydroxy-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid, sodium salt
(1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11R,11aR)- 3-(1,1-Dimethylethyl)hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3′,2′:3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione