Account 1-Oxohederagenin
- Catalog No. :
- ACRESQ243
- CAS No. :
- 618390-67-3
- Molecular Formula :
- C30H46O5
- Molecular Weight :
- 486.69
IUPAC Name:(4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
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Product Information
| Product Name | 1-Oxohederagenin |
|---|---|
| IUPAC Name | (4aS,6aS,6bR,8aS,9R,10S,12aR,12bS,14bS)-10-hydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-12-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid |
| Molecular Formula | C30H46O5 |
| Molecular Weight | 486.69 |
| SMILES | C[C@]12C([C@]3([C@@](C(O)=O)(CC1)CCC(C)(C)C3)[H])=CC[C@]4([C@@]2(C)CC[C@@]5([C@]4(C)C(=O)C[C@H](O)[C@]5(CO)C)[H])[H] |
| InChI Key | BYWZDPHXZQSASO-DLRRJOOFSA-N |
| Synonym | 1-Oxohederagenin;Olean-12-en-28-oic acid, 3,23-dihydroxy-1-oxo-, (3β,4α)-;3β,23-Dihydroxy-1-oxo-olean-12-en-28-oic acid |
| CAS No. | 618390-67-3 |
Synthetic Route by SureRoute
2. ACRESQ243 Molecular Building Block Synthetic Route
(4aS,6aS,6bR,8aS,10S,12aR,12bS,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-12-oxo-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
(1S,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-10-hydroxy-9-(hydroxymethyl)-1,2,6a,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
(4aS,6aS,6bR,8aR,9S,10R,12aR,12bR,14bS)-10-hydroxy-9-(hydroxymethyl)-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