Also known as: 5968-70-7, 3-o-acetyl-beta-boswellic acid, Acetyl-beta-boswellic acid, 3-acetyl-beta-boswellicacid, Chembl236906, 5m3483eou5

Molecular Formula

C₃₂H₅₀O₄

Molecular Weight

498.7 g/mol

InChI Key

YJBVHJIKNLBFDX-MQURJEHKSA-N

FDA UNII

5M3483EOU5

3-acetyl--boswellic acid is a natural product found in Boswellia sacra and Boswellia serrata with data available.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4R,4aR,6aR,6bS,8aR,11R,12S,12aR,14aR,14bR)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picene-4-carboxylic acid

2.1.2 InChI

InChI=1S/C32H50O4/c1-19-11-14-28(4)17-18-30(6)22(26(28)20(19)2)9-10-23-29(5)15-13-25(36-21(3)33)32(8,27(34)35)24(29)12-16-31(23,30)7/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23-,24-,25-,26+,28-,29-,30-,31-,32-/m1/s1

2.1.3 InChI Key

YJBVHJIKNLBFDX-MQURJEHKSA-N

2.1.4 Canonical SMILES

CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C

2.1.5 Isomeric SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H]([C@]5(C)C(=O)O)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C

2.2 Other Identifiers

2.2.1 UNII

5M3483EOU5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-o-acetyl-beta-boswellic Acid

2. Acetyl-beta-boswellic Acid

2.3.2 Depositor-Supplied Synonyms

1. 5968-70-7

2. 3-o-acetyl-beta-boswellic Acid

3. Acetyl-beta-boswellic Acid

4. 3-acetyl-beta-boswellicacid

5. Chembl236906

6. 5m3483eou5

7. (3r,4r,4ar,6ar,6bs,8ar,11r,12s,12ar,14ar,14br)-3-acetyloxy-4,6a,6b,8a,11,12,14b-heptamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1h-picene-4-carboxylic Acid

8. .beta.-boswellic Acid Acetate

9. A-beta-ba

10. Unii-5m3483eou5

11. Beta-boswellic Acid, 3-acetyl-

12. Mfcd03788773

13. Boswellia Serrata Hexane Extract In Methanol

14. Acetyl Beta-boswellic Acid

15. Beta-acetyl-boswellic Acid

16. 3-acetyl-ss-boswellic Acid

17. Schembl4931570

18. Urs-12-en-24-oic Acid, 3.alpha.-hydroxy-, Acetate

19. Dtxsid7057579

20. 3-o-acetyl- Beta -boswellic Acid

21. Hy-n2075

22. Urs-12-en-23-oic Acid, 3-(acetyloxy)-, (3.alpha.,4.beta.)-

23. Acetyl-.beta.-boswellic Acid

24. Bdbm50019163

25. Zinc14089751

26. Akos037514497

27. 3-acetyl-.beta.-boswellic Acid

28. As-79651

29. 3-acetyl-beta-boswellic Acid, Hplc Grade

30. Cs-0018580

31. (3alpha)-3-(acetyloxy)urs-12-en-24-oic Acid

32. 3-o-acetyl-beta-boswellic Acid, Analytical Standard

33. Q27262544

34. 3-acetyl-.beta.-boswellic Acid (constituent Of Boswellia Serrata) [dsc]

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₅₀O₄
Molecular Weight	498.7 g/mol
XLogP3	8.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	498.37091007 g/mol
Monoisotopic Mass	498.37091007 g/mol
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	985
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Acetyl-Beta-Boswellic Acid

Acetyl-Beta-Boswellic Acid

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