Account Dimethyl ceanothate
- Catalog No. :
- ACHVHU758
- CAS No. :
- 31300-24-0
- Molecular Formula :
- C32H50O5
- Molecular Weight :
- 514.75
IUPAC Name:dimethyl (1R,2S,3aR,5aR,5bR,7aS,10R,10aR,10bR,12aR,12bR)-2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylate
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Product Information
| Product Name | Dimethyl ceanothate |
|---|---|
| IUPAC Name | dimethyl (1R,2S,3aR,5aR,5bR,7aS,10R,10aR,10bR,12aR,12bR)-2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylate |
| Molecular Formula | C32H50O5 |
| Molecular Weight | 514.75 |
| SMILES | O=C([C@H]1[C@H](O)C(C)(C)[C@@]2([H])[C@@]1(C)[C@@]3([H])CC[C@]4([H])[C@]([C@H](C(C)=C)CC5)([H])[C@@]5(C(OC)=O)CC[C@@]4(C)[C@]3(C)CC2)OC |
| InChI Key | OTJNVRIBONQVIF-VSBKJJMFSA-N |
| Synonym | Dimethyl ceanothate;dimethyl emmolate;A(1),28-Dinorlup-20(29)-ene-2,17-dicarboxylic acid, 3-hydroxy-, 2,17-dimethyl ester, (2α,3β)- |
| CAS No. | 31300-24-0 |
Synthetic Route by SureRoute
2. ACHVHU758 Molecular Building Block Synthetic Route
(1R,2S,3aR,5aR,5bR,7aS,10R,10aR,10bR,12aR,12bR)-2-hydroxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid
methyl (3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-4-carboxylate
(1R,2S,3aR,5aR,5bR,7aS,10R,10aR,10bR,12aR,12bR)-2-acetoxy-3,3,5a,5b,12b-pentamethyl-10-(prop-1-en-2-yl)octadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid