Account 3-hydroxy-12-oleanen-28-oic acid, 3beta-form, 3-o-[beta-d-xylopyranosyl-(1->2)-[alpha-l-rhamnopyranosyl-(1->3)]-beta-d-glucuronopyranoside], beta-d-glucopyranosyl ester
- Catalog No. :
- ACSXEM543
- CAS No. :
- 111567-21-6
- Molecular Formula :
- C53H84O22
- Molecular Weight :
- 1073.23
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-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-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-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
![3-hydroxy-12-oleanen-28-oic acid, 3beta-form, 3-o-[beta-d-xylopyranosyl-(1->2)-[alpha-l-rhamnopyranosyl-(1->3)]-beta-d-glucuronopyranoside], beta-d-glucopyranosyl ester structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-hydroxy-12-oleanen-28-oic acid, 3beta-form, 3-o-[beta-d-xylopyranosyl-(1->2)-[alpha-l-rhamnopyranosyl-(1->3)]-beta-d-glucuronopyranoside], beta-d-glucopyranosyl ester |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-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-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-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 |
| Molecular Formula | C53H84O22 |
| Molecular Weight | 1073.23 |
| SMILES | O=C([C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)CO3)[C@H](O[C@H]4CC[C@]5(C)[C@@]6([H])CC=C7[C@]8([H])CC(C)(C)CC[C@]8(C(O[C@H]9[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O9)=O)CC[C@@]7(C)[C@]6(C)CC[C@@]5([H])C4(C)C)O1)O |
| InChI Key | KJUYGRKBLRHDHL-BDGYRHNBSA-N |
| Synonym | β-D-glucopyranosyl 3-O-[(O-β-D-xylopyranosyl-(1→2) (O-α-L-rhamnopyranosyl(1→3)β-D-glucuronopyranosyl]oleanolate;β-D-Glucopyranosiduronic acid, (3β)-28-(β-D-glucopyranosyloxy)-28-oxoolean-12-en-3-yl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[β-D-xylopyranosyl-(1→2)]-;β-D-glucopyranosyl 3-O-[(O-β-D-xylopyranosyl-(1→2) (O-α-L-rhamnopyranosyl(1→3)β-D-glucuronopyranosy;Molluscicidal agent-1;β-D-glucopyranosyl 3-O-[(O-β-D-xylopyranosyl-(1→2) (O-α-L-rhamnopyranosyl(1→3)β-D-glucuronopyranosyl... |
| CAS No. | 111567-21-6 |
Synthetic Route by SureRoute
2. ACSXEM543 Molecular Building Block Synthetic Route
3-hydroxy-12-oleanen-28-oic acid, 3beta-form, 3-o-[beta-d-glucopyranosyl-(1->2)[alpha-l-rhamnopyranosyl-(1->3)]-beta-d-glucuronopyranoside], beta-d-glucopyranosyl ester
(2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-Heptamethyl-8a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-4,4,6a,6b,11,11,14b-heptamethyl-8a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid