Cas no 2493-95-0 (Cholest-8(14)-ene-3,6-diol,diacetate, (3b,5a,6a)- (9CI))
2493-95-0 structure
Product Name:Cholest-8(14)-ene-3,6-diol,diacetate, (3b,5a,6a)- (9CI)
CAS No:2493-95-0
MF:C31H50O4
MW:486.726310253143
CID:284400
PubChem ID:269724
Update Time:2025-04-19
Cholest-8(14)-ene-3,6-diol,diacetate, (3b,5a,6a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cholest-8(14)-ene-3,6-diol,diacetate, (3b,5a,6a)- (9CI)
- [(9R,10R,13R,17R)-6-acetyloxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- DTXSID30947813
- NSC-111217
- cholest-8(14)-ene-3,6-diyl diacetate
- 2493-95-0
- Cholest-8(14)-ene-3, diacetate, (3.beta.,5.alpha.,6.alpha.)-
- NSC111217
-
- Inchi： 1S/C31H50O4/c1-19(2)9-8-10-20(3)25-11-12-26-24-18-29(35-22(5)33)28-17-23(34-21(4)32)13-15-31(28,7)27(24)14-16-30(25,26)6/h19-20,23,25,27-29H,8-18H2,1-7H3
- InChI Key： HKZVNNOZEYDZPF-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1CC2=C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCC(CC21)OC(C)=O
Computed Properties
- Exact Mass: 486.3711
- Monoisotopic Mass: 486.37091007g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 35
- Rotatable Bond Count: 9
- Complexity: 843
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Cholest-8(14)-ene-3,6-diol,diacetate, (3b,5a,6a)- (9CI) Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
2493-95-0 (Cholest-8(14)-ene-3,6-diol,diacetate, (3b,5a,6a)- (9CI)) Related Products
- 303-43-5(Cholesteryl oleate)
- 1062-96-0(Cholesteryl hexanoate)
- 601-34-3(Cholesteryl palmitate)
- 521-13-1(Cholesteryl N-Butyrate)
- 1182-42-9(Cholesterol Caprylate)
- 1908-11-8(Cholesterol Laurate)
- 1989-52-2(Cholesterol myristate)
- 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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