Account benzyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- Catalog No. :
- ACOKUC561
- CAS No. :
- 1352328-66-5
- Molecular Formula :
- C33H46O4
- Molecular Weight :
- 506.73
IUPAC Name:benzyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
![benzyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | benzyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
|---|---|
| IUPAC Name | benzyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Molecular Formula | C33H46O4 |
| Molecular Weight | 506.73 |
| SMILES | C/C=C1/C(=O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)OCC4=CC=CC=C4)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12 |
| InChI Key | JKCADEBSFFPQJB-WYPOTTRMSA-N |
| Synonym | Cholan-24-oic acid,6-ethylidene-3-hydroxy-7-oxo-,phenylmethyl ester, (3α,5β)-;OCA-E1;benzyl 3α-hydroxy-6-ethylidene-7-keto-5β-cholan-24-oate;(3alpha,5beta)-6-Ethylidene-3-hydroxy-7-oxo-cholan-24-oic acid phenylmethyl ester;(R)-Benzyl 4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate;6-ethylidene-3-hydroxy-7-oxophenylmethyl ester;(3α;5β)- |
| CAS No. | 1352328-66-5 |
| PubChem CID | 118992207 |
Synthetic Route by SureRoute
2. ACOKUC561 Molecular Building Block Synthetic Route
methyl (R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R,E)-6-Ethylidene-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid