3-Acetyl-11-keto-β-boswellic acid

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Systematic / IUPAC Name: (3α,5ξ,9ξ,18ξ)-3-Acetoxy-11-oxours-12-en-24-oic acid

ID: Reference5836

Other Names: Acetyl-11-keto-β-boswellic acid;
AK-β-BA;
3-O-Acetyl-11-keto-β-boswellic acid ;
AKBA

Formula: C32H48O5

Class: Endogenous Metabolites

Spectral Data

3-Acetyl-11-keto-β-boswellic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS ; Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 281
Tandem Spectra MS1, MS2
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 4/17/2018 8:32:47 AM
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Identificators

InChI InChI=1S/C32H48O5/c1-18-9-12-28(4)15-16-30(6)21(25(28)19(18)2)17-22(34)26-29(5)13-11-24(37-20(3)33)32(8,27(35)36)23(29)10-14-31(26,30)7/h17-19,23-26H,9-16H2,1-8H3,(H,35,36)/t18-,19+,23?,24-,25?,26?,28-,29+,30-,31-,32-/m1/s1
InChI Key HMMGKOVEOFBCAU-XUEZKKGGSA-N
Canonical SMILES CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
CAS 67416619
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Other Names Acetyl-11-keto-β-boswellic acid;
AK-β-BA;
3-O-Acetyl-11-keto-β-boswellic acid ;
AKBA

In Other Databases

ChemSpider 5293329
PubChem 6918115