Cas no 5968-70-7 (3-Acetyl-beta-boswellic acid)

3-Acetyl-beta-boswellic acid structure
3-Acetyl-beta-boswellic acid structure
Product Name:3-Acetyl-beta-boswellic acid
CAS No:5968-70-7
MF:C32H50O4
MW:498.7370
MDL:MFCD03788773
CID:366930
PubChem ID:329757537
Update Time:2024-02-29

3-Acetyl-beta-boswellic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Acetyl-B-boswellic acid
    • 3-O-Acetyl-beta-boswellic acid
    • (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
    • 3-ACETYL-BETA-BOSWELLIC ACID
    • 3-O-Acetyl-β-boswellic acid
    • ACETYL-B-BOSWELLIC ACID, 3-(P)
    • ACETYL-B-BOSWELLIC ACID, 3-(SH)
    • beta-Acetylboswellic acid
    • 3-Acetyl-β-boswellic acid
    • 3-O-Acetyl-?-boswellic acid, Boswellia sp
    • A-Hydroxyurs-12-en-24-oic acid acetate
    • Boswellia serrata hexane extract in Methanol
    • UNII-5M3483EOU5
    • (3α,4β)-3-(Acetyloxy)urs-12-en-23-oic acid
    • 3α-Hydroxyurs-12-en-24-oic acid acetate
    • 3(3alpha,4beta)-(acetyloxy)urs-12-en-23-oic acid
    • Acetyl-beta-boswellic acid
    • 5M3483EOU5
    • (3
    • A,4
    • 3-acetyl-beta-boswellic acid;
    • beta-Boswellic acid, 3-acetyl-
    • 3-O-Acetyl-beta-boswellic acid;
    • BDBM50019163
    • 8015AH
    • 3
    • 3-acetyl-
    • AKOS040738308
    • beta-Boswellic acid acetate
    • 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
    • A-boswellic acid
    • SCHEMBL18306259
    • Acetyl-beta-boswellic acid;3-O-Acetyl-(c)micro-boswellic Acid; (c)micro-Boswellic Acid Acetate
    • NS00097167
    • NCGC00380793-01
    • CHEBI:175830
    • FT-0645076
    • A)-3-(Acetyloxy)urs-12-en-23-oic acid
    • BCP32935
    • Compound NP-018972
    • ?-Boswellic acid acetate
    • (+)-Acetyl-beta-boswellic acid
    • 3-Acetyl-beta-boswellic acid
    • MDL: MFCD03788773
    • 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
    • InChI Key: YJBVHJIKNLBFDX-MQURJEHKSA-N
    • SMILES: O(C(C([H])([H])[H])=O)[C@]1([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]([H])([C@]1(C(=O)O[H])C([H])([H])[H])C([H])([H])C([H])([H])[C@@]1(C([H])([H])[H])[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]4(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]4([H])C3=C([H])C([H])([H])[C@@]12[H]

Computed Properties

  • Exact Mass: 498.37100
  • Monoisotopic Mass: 498.37091007 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 36
  • Rotatable Bond Count: 3
  • Complexity: 985
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 63.6
  • Molecular Weight: 498.7
  • XLogP3: 8.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.09
  • Melting Point: 157-161 oC
  • Boiling Point: 567 oC
  • Flash Point: 171 oC
  • Refractive Index: 1.543
  • PSA: 63.60000
  • LogP: 7.66030
  • Vapor Pressure: 0.0±3.3 mmHg at 25°C

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