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Chemistry

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Also known as: 521-35-7, Cannabinolo [dcit], Cannabinolum [inn-latin], 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol, 6,6,9-trimethyl-3-pentyl-6h-dibenzo(b,d)pyran-1-ol, 3-amyl-1-hydroxy-6,6,9-trimethyl-6h-dibenzo(b,d)pyran

Molecular Formula

C₂₁H₂₆O₂

Molecular Weight

310.4 g/mol

InChI Key

VBGLYOIFKLUMQG-UHFFFAOYSA-N

FDA UNII

7UYP6MC9GH

A physiologically inactive constituent of Cannabis sativa L.

1 2D Structure

Cannabinol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

2.1.2 InChI

InChI=1S/C21H26O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9-13,22H,5-8H2,1-4H3

2.1.3 InChI Key

VBGLYOIFKLUMQG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCC1=CC(=C2C(=C1)OC(C3=C2C=C(C=C3)C)(C)C)O

2.2 Other Identifiers

2.2.1 UNII

7UYP6MC9GH

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 521-35-7

2. Cannabinolo [dcit]

3. Cannabinolum [inn-latin]

4. 6,6,9-trimethyl-3-pentylbenzo[c]chromen-1-ol

5. 6,6,9-trimethyl-3-pentyl-6h-dibenzo(b,d)pyran-1-ol

6. 3-amyl-1-hydroxy-6,6,9-trimethyl-6h-dibenzo(b,d)pyran

7. 6h-dibenzo(b,d)pyran-1-ol, 6,6,9-trimethyl-3-pentyl-

8. 7uyp6mc9gh

9. Nsc-134455

10. 6,6,9-trimethyl-3-pentyl-6h-benzo[c]chromen-1-ol

11. 6,6,9-trimethyl-3-pentyl-6h-dibenzo[b,d]pyran-1-ol

12. Chembl74415

13. Chebi:3360

14. 3-amyl-1-hydroxy-6,6,9-trimethyl-6h-dibenzo[b,d]pyran

15. 6h-dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl-

16. Ncgc00168261-01

17. Cannabinolo

18. Cannabinolum

19. Cannabinol [inn:ban]

20. Cannabinol (cbn)

21. Nsc 134455

22. Unii-7uyp6mc9gh

23. Brn 0237145

24. Cannabinol (6ci)

25. Cannabinol [mi]

26. Cannabinol [inn]

27. Cannabinol [who-dd]

28. Dsstox_cid_28922

29. Dsstox_rid_83188

30. Dsstox_gsid_48996

31. Gtpl740

32. 5-17-04-00567 (beilstein Handbook Reference)

33. Divk1c_000972

34. Schembl121085

35. Cannabinol, Analytical Standard

36. Dtxsid3048996

37. Hms503c05

38. Kbio1_000972

39. Ninds_000972

40. Cannabinol 1.0 Mg/ml In Methanol

41. Zinc1530833

42. Tox21_113486

43. Bdbm50061117

44. Lmpk13120002

45. Nsc134455

46. Akos024457448

47. Db14737

48. 6,6,9-trimethyl-3-pentyl-6h-dibenzo(b,d)pyran-1-ol. Product Derived From Cannabis Sativa

49. Idi1_000972

50. Cas-521-35-7

51. 6h-dibenzo[b, 6,6,9-trimethyl-3-pentyl-

52. Cannabinol (cbn) 100 Microg/ml In Methanol

53. C07580

54. Cannabinol (cbn) 1000 Microg/ml In Methanol

55. Cannabinol (cbn) 250 Microg/ml In Acetonitrile

56. A934070

57. L000158

58. Q265831

59. Wln: T B666 Ho Ihj Cq E5 I1 I1 M1

60. 6,9-trimethyl-3-pentyl-6h-dibenzo[b,d]pyran-1-ol

61. 3-amyl-1-hydroxy-6,9-trimethyl-6h-dibenzo[b,d]pyran

62. 6,6,9-trimethyl-3-pentyl-6h-benzo[c]chromen-1-ol #

63. 6,6,9-trimethyl-3-pentyl-6h-benzo[c]chromen-1-ol(cannabinol)

64. 6,6,9-trimethyl-3-pentyl-6h-benzo[c]chromen-1-ol (cannabinol)

65. 6h-dibenzo[b,d]pyran-1-ol, 6,6,9-trimethyl-3-pentyl- (7ci,8ci,9ci)

66. Cannabinol Solution, 1.0 Mg/ml In Methanol, Ampule Of 1 Ml, Certified Reference Material

67. Cannabinol Solution, 1.0 Mg/ml In Methanol, Analytical Standard, For Drug Analysis

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₆O₂
Molecular Weight	310.4 g/mol
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	310.193280068 g/mol
Monoisotopic Mass	310.193280068 g/mol
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1