Account (1R,2R,4S,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
- Catalog No. :
- ACWGAD372
- CAS No. :
- 173991-81-6
- Molecular Formula :
- C30H46O4
- Molecular Weight :
- 470.69
IUPAC Name:(1R,2R,4S,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
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Product Information
| Product Name | (1R,2R,4S,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid |
|---|---|
| IUPAC Name | (1R,2R,4S,4aR,6aS,6bR,8aR,12aR,12bR,14bS)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid |
| MDL No. | MFCD20261055 |
| Molecular Formula | C30H46O4 |
| Molecular Weight | 470.69 |
| SMILES | C[C@@H]1[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@@]2(C)[C@@H](O)C[C@H]1C(=O)O |
| InChI Key | QGMNTKNSMLYTKS-BHHXOIJJSA-N |
| Synonym | 22-Hydroxy-3-oxo-12-ursen-30-oic acid;(22alpha)-22-Hydroxy-3-oxours-12-en-30-oic acid;22α-Hydroxy-3-oxo-12-ursen-30-oic acid;Regelinacid/22-Hydroxy-3-oxo-12-ursen-30-oicacid;Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, (22α)- |
| CAS No. | 173991-81-6 |
Synthetic Route by SureRoute
2. ACWGAD372 Molecular Building Block Synthetic Route
Regelin
(1R,2R,4S,4aR,6aS,6bR,8aR,10R,12aR,12bR,14bS)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid
(1R,2R,4S,4aR,6aS,6bR,10S,12aR,12bR,14bR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid