Account (4R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(((Z)-2-methylbut-2-enoyl)oxy)-10-oxo-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. :
- ACWTHE811
- CAS No. :
- 467-81-2
- Molecular Formula :
- C35H52O5
- Molecular Weight :
- 552.80
IUPAC Name:(4R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(((Z)-2-methylbut-2-enoyl)oxy)-10-oxo-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 | (4R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(((Z)-2-methylbut-2-enoyl)oxy)-10-oxo-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 | (4R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(((Z)-2-methylbut-2-enoyl)oxy)-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid |
| MDL No. | MFCD01710988 |
| Molecular Formula | C35H52O5 |
| Molecular Weight | 552.80 |
| SMILES | C/C=C(/C)C(=O)O[C@@H]1CC(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]12C(=O)O |
| InChI Key | KCLIRHUTOPOHKJ-LSZVMECJSA-N |
| Synonym | rehmannic acid;LANTADENEA;22β-[[(Z)-2-Methyl-1-oxo-2-butenyl]oxy]-3-oxoolean-12-en-28-oic acid;Olean-12-en-28-oic acid, 22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-3-oxo-, (22β)-;Rehmannicaci |
| CAS No. | 467-81-2 |
Synthetic Route by SureRoute
2. ACWTHE811 Molecular Building Block Synthetic Route
(4R,4AS,6aS,6bR,8aR,9S,12aR,12bR,14bS)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-(((Z)-2-methylbut-2-enoyl)oxy)-10-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
Lantadene B
3-hydroxy-4,4,6a,6b,11,11-hexamethyl-9-((2-methylbut-2-enoyl)oxy)-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,14,14a-hexadecahydro-1H-3,14b-(epoxymethano)picene-8a(6bH)-carboxylic acid