Cas no 1059-86-5 (7,8-Didehydrocholesterol Acetate)
7,8-Didehydrocholesterol Acetate is a sterol derivative with significant utility in organic synthesis and biochemical research. Its conjugated diene structure makes it a valuable intermediate in the preparation of vitamin D analogs and other steroidal compounds. The acetate group enhances stability and solubility, facilitating handling and storage. This compound is particularly useful in studies involving photochemical reactions, as the 7,8-didehydro moiety is reactive under UV light, enabling controlled transformations. Its high purity and well-defined structure ensure reproducibility in experimental applications. Researchers favor it for its versatility in sterol modification and its role in elucidating biosynthetic pathways related to cholesterol and vitamin D metabolism.
1059-86-5 structure
Product Name:7,8-Didehydrocholesterol Acetate
7,8-Didehydrocholesterol Acetate Chemical and Physical Properties
Names and Identifiers
-
- Cholesta-5,7-dien-3-ol,3-acetate, (3b)-
- [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- 3β
- 7,8-Didehydrocholesterol acetate
- 7-Dehydrocholesterol acetate
- 7-Dehydrocholesteryl acetate
- -Acetoxychoesta-5,7-diene
- Cholest-5,7-dien-3β
- Cholesta-5,7-dien-3β
- NSC 226869
- -ol, acetate
- -yl acetate
- Brn 3224391
- EINECS 213-896-5
- 3β-Acetoxy-5,7-cholestadiene
- Cholesta-5,7-dien-3-yl acetate
- 3beta-Acetoxychoesta-5,7-diene
- Cholesta-5,7-dien-3-ol, acetate,
- Cholest-5,7-dien-3beta-yl acetate
- Cholesta-5,7-dien-3beta-yl acetate
- Cholesta-5,7-dien-3.beta.-yl acetate
- Cholesta-5,7-dien-3beta-ol acetate
- Cholesta-5,7-dien-3-beta-ol, acetate
- Cholesta-5,7-dien-3-ol, acetate, (3beta)
- 7-Dehydrocholesterolacetate
- 4-06-00-04153 (Beilstein Handbook Reference)
- (3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
- Cholest-5,7-dien-3.beta.-yl acetate
- CS-0120893
- SCHEMBL7760234
- DTXSID50909817
- NS00042700
- Cholesta-5,7-dien-3-ol, acetate, (3-beta)
- Cholesta-5,7-dien-3-beta-yl acetate
- 3.beta.-Acetoxychoesta-5,7-diene
- Cholesta-5,7-dien-3beta-ol, acetate
- Cholesta-5,7-dien-3-yl acetate, (3.beta.)-
- Cholesta-5,7-dien-3.beta.-ol, acetate
- [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetate
- Cholesta-5,7-dien-3-ol, acetate, (3beta)-
- E81462
- (1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
- 1059-86-5
- Cholesta-5,7-dien-3-ol, acetate, (3.beta.)-
- (1R,3aR,7S,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl acetate
- 7,8-Didehydrocholesterol Acetate
-
- Inchi： 1S/C29H46O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-20,23,25-27H,7-9,12-18H2,1-6H3/t20-,23+,25-,26+,27+,28+,29-/m1/s1
- InChI Key： ACGNVBRAISEVDK-RPIQFHTISA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)C(C1)=CC=C1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 426.34998
- Monoisotopic Mass: 426.349780706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 746
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 8.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.0041 (rough estimate)
- Melting Point: 129.5°C
- Boiling Point: 482.07°C (rough estimate)
- Flash Point: 256.3±17.4 °C
- Refractive Index: 1.5045 (estimate)
- Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
- PSA: 26.3
- LogP: 7.87960
- Vapor Pressure: 0.0±1.3 mmHg at 25°C
7,8-Didehydrocholesterol Acetate Security Information
- Signal Word：warning
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
7,8-Didehydrocholesterol Acetate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D439535-100mg |
7,8-Didehydrocholesterol Acetate |
1059-86-5 | 100mg |
$ 178.00 | 2023-09-07 | ||
| TRC | D439535-250mg |
7,8-Didehydrocholesterol Acetate |
1059-86-5 | 250mg |
$425.00 | 2023-05-18 | ||
| TRC | D439535-500mg |
7,8-Didehydrocholesterol Acetate |
1059-86-5 | 500mg |
$833.00 | 2023-05-18 | ||
| TRC | D439535-1g |
7,8-Didehydrocholesterol Acetate |
1059-86-5 | 1g |
$ 1995.00 | 2023-09-07 | ||
| Chemenu | CM360826-100mg |
(3S,9S,10R,13R,14R,17R)-10,13-Dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate |
1059-86-5 | 95%+ | 100mg |
$*** | 2023-04-03 | |
| Aaron | AR008V8C-100mg |
7-DEHYDROCHOLESTEROL ACETATE |
1059-86-5 | 98% | 100mg |
$557.00 | 2025-01-23 | |
| Nature Science Technologies | NST-10-93-50g |
7-Dehydrocholesterol |
1059-86-5 | 98% (HPLC) | 50g |
€ 340 | 2025-02-21 | |
| Nature Science Technologies | NST-10-93-100g |
7-Dehydrocholesterol |
1059-86-5 | 98% (HPLC) | 100g |
€ 620 | 2025-02-21 | |
| Nature Science Technologies | NST-10-93-250g |
7-Dehydrocholesterol |
1059-86-5 | 98% (HPLC) | 250g |
€ 1330 | 2025-02-21 | |
| Nature Science Technologies | NST-10-93-25g |
7-Dehydrocholesterol |
1059-86-5 | 98% (HPLC) | 25g |
€ 220 | 2025-02-21 |
7,8-Didehydrocholesterol Acetate Related Literature
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholestane steroids Cholesterols and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cholesterols and derivatives
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