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Also known as: Cholesterol palmitate, 601-34-3, Cholesteryl hexadecanoate, Hexadecanoic acid, cholesteryl ester, Cholesterol, palmitate, Cholest-5-en-3-ol (3.beta.)-, hexadecanoate

Molecular Formula

C₄₃H₇₆O₂

Molecular Weight

625.1 g/mol

InChI Key

BBJQPKLGPMQWBU-JADYGXMDSA-N

FDA UNII

ZR4D53AD57

cholesteryl palmitate is a natural product found in Homo sapiens with data available.

1 2D Structure

Cholesteryl Palmitate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(3S,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] hexadecanoate

2.1.2 InChI

InChI=1S/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3/t34-,36+,37+,38-,39+,40+,42+,43-/m1/s1

2.1.3 InChI Key

BBJQPKLGPMQWBU-JADYGXMDSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

2.2 Other Identifiers

2.2.1 UNII

ZR4D53AD57

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Cholesterol Palmitate

2. 601-34-3

3. Cholesteryl Hexadecanoate

4. Hexadecanoic Acid, Cholesteryl Ester

5. Cholesterol, Palmitate

6. Cholest-5-en-3-ol (3.beta.)-, Hexadecanoate

7. 16:0 Cholesteryl Ester

8. Ce(16:0)

9. Cholest-5-ene-3-beta-yl Palmitate

10. 16:0 Cholesterol Ester

11. Cholest-5-en-3beta-yl Hexadecanoate

12. Palmitic Acid Cholesteryl Ester

13. Zr4d53ad57

14. Nsc-59692

15. (3beta)-cholest-5-en-3-ol Hexadecanoate

16. (3beta)-cholest-5-en-3-yl Hexadecanoate

17. 5-cholestene 3-palmitate

18. Cholest-5-en-3-ol (3beta)-, 3-hexadecanoate

19. (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 Palmitate

20. Cholesterol Hexadecanoate

21. Unii-zr4d53ad57

22. Einecs 210-002-5

23. Mfcd00003638

24. Nsc 59692

25. 1-palmitoyl-cholesterol

26. Cholesterol 1-palmitoate

27. Cholesteryl 1-palmitoate

28. Cholesteryl Palmitic Acid

29. Bmse000544

30. Cholesterol 1-hexadecanoate

31. Cholesteryl 1-hexadecanoate

32. Cholesterol Ester(16:0)

33. Cholesterol 1-palmitoic Acid

34. Cholesteryl 1-palmitoic Acid

35. Cholesteryl Hexadecanoic Acid

36. Cholesteryl Palmitate, 97%

37. Cholest-5-en-3-yl Palmitate

38. Schembl295637

39. Chebi:3663

40. Cholesterol 1-hexadecanoic Acid

41. Cholesteryl 1-hexadecanoic Acid

42. Palmitic Acid Cholesterol Ester

43. Cholesterol Palmitate, >/=97%

44. Dtxsid40889356

45. Cholesterol Ester(16:0/0:0)

46. Hexadecanoic Acid Cholesteryl Ester

47. Nsc59692

48. Zinc8234393

49. Lmst01020005

50. 3.beta.-hexadecanoyloxycholest-5-ene

51. Akos015839810

52. Akos015915569

53. (3beta)-cholest-5-en-3-yl Palmitate

54. Cs-w011424

55. Ds-4666

56. Hy-w010708

57. [(3s,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] Hexadecanoate

58. 16:0(ce)

59. Cholest-5-en-3-ol (3beta)-, Hexadecanoate

60. D95354

61. Op0201 Component Cholesteryl Palmitate

62. Cholest-5-en-3-ol (3.beta.)-, 3-hexadecanoate

63. W-105278

64. Q27068156

65. Cholesteryl Palmitate, >=98% (hplc; Detection At 205 Nm)

66. (3s,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 Palmitate

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄₃H₇₆O₂
Molecular Weight	625.1 g/mol
XLogP3	16.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	21
Exact Mass	624.58453166 g/mol
Monoisotopic Mass	624.58453166 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	904
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1