Account (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)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
- Catalog No. :
- ACUMMY878
- CAS No. :
- 97534-10-6
- Molecular Formula :
- C39H54O6
- Molecular Weight :
- 618.85
IUPAC Name:(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)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
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Product Information
| Product Name | (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)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 |
|---|---|
| IUPAC Name | (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)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 |
| Molecular Formula | C39H54O6 |
| Molecular Weight | 618.85 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/C6=CC(O)=C(O)C=C6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| InChI Key | OJEUMHQEAMVIBI-SBXAJAQGSA-N |
| Synonym | 3-O-caffeoyloleanolic acid;Oleanolic acid 3-O-caffeate;Oleanolic acid caffeate;(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid;Olean-12-en-28-oic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (3β)- |
| CAS No. | 97534-10-6 |
Synthetic Route by SureRoute
2. ACUMMY878 Molecular Building Block Synthetic Route
(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-6a-((((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)methyl)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)methyl)-1,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
3-O-trans-p-Coumaroylmaslinic acid