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4025-59-6,MFCD00201258
Catalog No.:AA00CAQB

4025-59-6 | (3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
≥95%
in stock  
$70.00   $49.00
- +
50mg
≥95%
in stock  
$240.00   $168.00
- +
100mg
≥95%
in stock  
$443.00   $310.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00CAQB
Chemical Name:
(3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
CAS Number:
4025-59-6
Molecular Formula:
C27H46O2
Molecular Weight:
402.6529
MDL Number:
MFCD00201258
SMILES:
CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C
Properties
Computed Properties
 
Complexity:
630  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
10  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
8  

Literature

Title: Surprising unreactivity of cholesterol-5,6-epoxides towards nucleophiles.

Journal: Journal of lipid research 20120401

Title: Proinflammatory effect of cholesterol and its oxidation products on CaCo-2 human enterocyte-like cells: effective protection by epigallocatechin-3-gallate.

Journal: Free radical biology & medicine 20101215

Title: Identification of 5α, 6α-epoxycholesterol as a novel modulator of liver X receptor activity.

Journal: Molecular pharmacology 20101201

Title: Apoptosis induced by ozone and oxysterols in human alveolar epithelial cells.

Journal: Free radical biology & medicine 20100601

Title: Synthesis of new alkylaminooxysterols with potent cell differentiating activities: identification of leads for the treatment of cancer and neurodegenerative diseases.

Journal: Journal of medicinal chemistry 20091210

Title: Efficient chemoenzymatic synthesis, cytotoxic evaluation, and SAR of epoxysterols.

Journal: Journal of medicinal chemistry 20090709

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SDS
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Tags:4025-59-6 Molecular Formula|4025-59-6 MDL|4025-59-6 SMILES|4025-59-6 (3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
Catalog No.: AA00CAQB
4025-59-6,MFCD00201258
4025-59-6 | (3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
Pack Size： 10mg
Purity： ≥95%
in stock
$70.00 $49.00
Pack Size： 50mg
Purity： ≥95%
in stock
$240.00 $168.00
Pack Size： 100mg
Purity： ≥95%
in stock
$443.00 $310.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00CAQB
Chemical Name: (3S,4AS,5aR,6aS,6bS,9R,9aR,11aS,11bR)-9a,11b-dimethyl-9-((R)-6-methylheptan-2-yl)hexadecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-3-ol
CAS Number: 4025-59-6
Molecular Formula: C27H46O2
Molecular Weight: 402.6529
MDL Number: MFCD00201258
SMILES: CC(CCC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C[C@@H]2[C@]3([C@]1(C)CC[C@@H](C3)O)O2)C)C
Properties
Complexity: 630  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 10  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 8  
Literature fold

Title: Surprising unreactivity of cholesterol-5,6-epoxides towards nucleophiles.

Journal: Journal of lipid research20120401

Title: Proinflammatory effect of cholesterol and its oxidation products on CaCo-2 human enterocyte-like cells: effective protection by epigallocatechin-3-gallate.

Journal: Free radical biology & medicine20101215

Title: Identification of 5α, 6α-epoxycholesterol as a novel modulator of liver X receptor activity.

Journal: Molecular pharmacology20101201

Title: Apoptosis induced by ozone and oxysterols in human alveolar epithelial cells.

Journal: Free radical biology & medicine20100601

Title: Synthesis of new alkylaminooxysterols with potent cell differentiating activities: identification of leads for the treatment of cancer and neurodegenerative diseases.

Journal: Journal of medicinal chemistry20091210

Title: Efficient chemoenzymatic synthesis, cytotoxic evaluation, and SAR of epoxysterols.

Journal: Journal of medicinal chemistry20090709

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