Account 2-((((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)carbonyl)benzoic acid
- Catalog No. :
- ACOKGB281
- CAS No. :
- 6732-01-0
- Molecular Formula :
- C35H50O4
- Molecular Weight :
- 534.78
IUPAC Name:2-((((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)carbonyl)benzoic acid
![2-((((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)carbonyl)benzoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 2-((((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)carbonyl)benzoic acid |
|---|---|
| IUPAC Name | 2-((((3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)carbonyl)benzoic acid |
| Molecular Formula | C35H50O4 |
| Molecular Weight | 534.78 |
| SMILES | CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)C5=C(C(=O)O)C=CC=C5)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Key | DNRPYEJJPBQNQB-MMFRCHASSA-N |
| Synonym | PHTHALIC ACID MONOCHOLESTEROL ESTER;5-CHOLESTEN-3-BETA-OL HYDROGEN PHTHALATE;CHOLESTEROL HYDROGEN PHTHALATE;CHOLESTERYL HYDROGEN PHTHALATE;cholest-5-en-3beta-yl hydrogen phthalate;Phthalic acid 1-(3β-cholesteryl) ester;Phthalic acid hydrogen 1-(3β-cholesteryl) ester;Phthalic acid hydrogen 1-(3β-cholest |
| CAS No. | 6732-01-0 |
Synthetic Route by SureRoute
2. ACOKGB281 Molecular Building Block Synthetic Route
3b-(Benzoyloxy)cholest-5-ene
sodium (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-((2-carboxylatobenzoyl)oxy)-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)-carboxylate
(E)-4-(5-hydroxy-3-methylpent-3-en-1-yl)-8-(hydroxymethyl)-4a,8-dimethyl-3-methylenedecahydronaphthalen-1-yl benzoate