3-Acetoxyurs-12-en-23-oic acid

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Systematic / IUPAC Name: 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

ID: Reference7664

Other Names: β-Boswellic acid acetate;
Urs-12-en-23-oic acid, 3-(acetyloxy)-

Formula: C32H50O4

Spectral Data

3-Acetoxyurs-12-en-23-oic 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
No. of Spectral Trees 1
No. of Spectra 162
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/29/2018 11:35:24 AM
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Identificators

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)
InChI Key YJBVHJIKNLBFDX-UHFFFAOYSA-N
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C
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Other Names β-Boswellic acid acetate;
Urs-12-en-23-oic acid, 3-(acetyloxy)-

In Other Databases

HMDb HMDB35160
PubChem 3778105
ChemSpider 3006422