Cas no 1059-85-4 (Cholest-5-en-3-ol,acetate, (3a)- (9CI))
1059-85-4 structure
Product Name:Cholest-5-en-3-ol,acetate, (3a)- (9CI)
CAS No:1059-85-4
MF:C29H48O2
MW:428.690229415894
CID:137852
PubChem ID:11430304
Update Time:2025-04-19
Cholest-5-en-3-ol,acetate, (3a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cholest-5-en-3-ol,acetate, (3a)- (9CI)
- 5-CHOLESTEN-3-ALPHA-OL ACETATE
- 5-CHOLESTEN-3A-OL 3-ACETATE
- 5-CHOLESTEN-3ALPHA-OL 3-ACETATE
- EPICHOLESTEROL ACETATE
- EPICHOLESTERYL ACETATE
- XUGISPSHIFXEHZ-GPJXBBLFSA-N
- SCHEMBL6300400
- 3alpha-acetoxycholest-5-ene
- CHOLEST-5-EN-3-OL, 3-ACETATE, (3.ALPHA.)-
- EPICHOLESTEROL ACETATE, (-)-
- ANTIMONY(III)OXIDE
- EPICHOLESTEROL ACETATE [MI]
- [(3R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- Cholest-5-en-3-ol,acetate,(3a)-(9ci)
- Q27256446
- 3.ALPHA.-ACETOXYCHOLEST-5-ENE
- 3596SFA73E
- UNII-3596SFA73E
- 3.ALPHA.-ACETYLCHOLESTERIN
- 1059-85-4
-
- Inchi： 1S/C29H48O2/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/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23-,24+,25-,26+,27+,28+,29-/m1/s1
- InChI Key： XUGISPSHIFXEHZ-GPJXBBLFSA-N
- SMILES： O(C(C)=O)[C@@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21
Computed Properties
- Exact Mass: 428.365430770g/mol
- Monoisotopic Mass: 428.365430770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 7
- Complexity: 693
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 9.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.30000
- LogP: 7.95950
Cholest-5-en-3-ol,acetate, (3a)- (9CI) Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
1059-85-4 (Cholest-5-en-3-ol,acetate, (3a)- (9CI)) Related Products
- 1062-96-0(Cholesteryl hexanoate)
- 1183-04-6(Cholesteryl Decanoate)
- 604-33-1(Cholesterol Linoleate)
- 601-34-3(Cholesteryl palmitate)
- 521-13-1(Cholesteryl N-Butyrate)
- 1182-42-9(Cholesterol Caprylate)
- 1908-11-8(Cholesterol Laurate)
- 1182-66-7(Cholesteryl pelargonate)
- 633-31-8([(8S,9R,10R,13R,14S)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate)
- 604-35-3(Cholesterol 3-Acetate)
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