Account Regelin
- Catalog No. :
- ACRIGS507
- CAS No. :
- 109974-21-2
- Molecular Formula :
- C31H48O4
- Molecular Weight :
- 484.72
IUPAC Name:methyl (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-carboxylate
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Product Information
| Product Name | Regelin |
|---|---|
| IUPAC Name | methyl (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-carboxylate |
| Molecular Formula | C31H48O4 |
| Molecular Weight | 484.72 |
| SMILES | COC(=O)[C@@H]1C[C@H](O)[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C |
| InChI Key | YQPSLCRGQUNTRC-UXOWTMDMSA-N |
| Synonym | regelin;Urs-12-en-30-oic acid, 22-hydroxy-3-oxo-, methyl ester, (22α)-;Regelin C |
| CAS No. | 109974-21-2 |
Synthetic Route by SureRoute
2. ACRIGS507 Molecular Building Block Synthetic Route
(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
(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