Account (1R,2R,4aR,4bS,6aS,10aS,12aR)-1-(2-carboxyethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydrochrysene-6a(2H)-carboxylic acid
- Catalog No. :
- ACXVSA940
- CAS No. :
- 182249-69-0
- Molecular Formula :
- C30H48O5
- Molecular Weight :
- 488.71
IUPAC Name:(1R,2R,4aR,4bS,6aS,10aS,12aR)-1-(2-carboxyethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydrochrysene-6a(2H)-carboxylic acid
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Product Information
| Product Name | (1R,2R,4aR,4bS,6aS,10aS,12aR)-1-(2-carboxyethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydrochrysene-6a(2H)-carboxylic acid |
|---|---|
| IUPAC Name | (1R,2R,4aR,4bS,6aS,10aS,12aR)-1-(2-carboxyethyl)-2-(2-hydroxypropan-2-yl)-1,4a,4b,9,9-pentamethyl-1,3,4,4a,4b,5,6,7,8,9,10,10a,12,12a-tetradecahydrochrysene-6a(2H)-carboxylic acid |
| MDL No. | MFCD28975392 |
| Molecular Formula | C30H48O5 |
| Molecular Weight | 488.71 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(C)(C)O)CC[C@]43C)[C@@H]2C1 |
| InChI Key | HBMBVLYBFSJKDN-FUAOEXFOSA-N |
| Synonym | 3,4-seco-Olean-12-en-4-ol-3,28-dioic acid;1-Chrysenepropanoic acid, 6a-carboxy-1,2,3,4,4a,4b,5,6,6a,7,8,9,10,10a,12,12a-hexadecahydro-2-(1-hydroxy-1-methylethyl)-1,4a,4b,9,9-pentamethyl-, (1R,2R,4aR,4bS,6aS,10aS,12aR)- |
| CAS No. | 182249-69-0 |
Synthetic Route by SureRoute
2. ACXVSA940 Molecular Building Block Synthetic Route
(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-1,2,6a,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-4a-carboxylic acid
(1S,2R,4aS,6aS,6bR,10R,12aR,12bR,14bS)-10-Hydroxy-1,2,6a,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-4a-carboxylic acid
(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-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