Account (2S,3R,4R,6aR,8aR,12aR,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
- Catalog No. :
- ACNUWX276
- CAS No. :
- 2469-34-3
- Molecular Formula :
- C30H45ClO6
- Molecular Weight :
- 537.14
IUPAC Name:(2S,3R,4R,6aR,8aR,12aR,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
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Product Information
| Product Name | (2S,3R,4R,6aR,8aR,12aR,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid |
|---|---|
| IUPAC Name | (2S,3R,4R,6aR,8aR,12aR,13S,14aR,14bR)-13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid |
| Molecular Formula | C30H45ClO6 |
| Molecular Weight | 537.14 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H](CCl)C[C@H]4[C@@]3(C)CCC3[C@]4(C)C[C@H](O)[C@H](O)[C@]3(C)C(=O)O)[C@H]2C1 |
| InChI Key | CWHJIJJSDGEHNS-JUXXGFFYSA-N |
| Synonym | SENEGENIN;SENEGIN;13-(chloromethyl)-2,3-dihydroxy-4,6a,11,11,14b-pentamethyl-2,3,4a,5,6,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picene-4,8a-dicarboxylic acid;28-dioicacid,12-(chloromethyl)-2-beta,3-beta-dihydroxy-27-noro-13-ene-2;27-Norolean-13-ene-23,28-dioicacid, 12-(chloromethyl)-2,3-dihydroxy-, (2β,3β,4α,12α)-;Tenuigenin;12α-(Chloromethyl)-2β,3β-dihydroxy-27-nor-5α-olean-13-ene-23,28-dioic acid;12α-Chloromethyl-2β,3β-dihydroxy-27-norolean-1-ene-23,28-dioic acid |
| CAS No. | 2469-34-3 |
Synthetic Route by SureRoute
2. ACNUWX276 Molecular Building Block Synthetic Route
5,10,11-trihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(2R,3R,4S,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
(4aR,5R,6aS,6bR,8aR,9S,10S,12aR,12bR,14bS)-9-formyl-5,10-dihydroxy-2,2,6a,6b,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