(2α,3β,19α)-2,3,19-Trihydroxyolean-12-en-28-oic acid

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Systematic / IUPAC Name: (1S,4aR,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-1,10,11-Trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

ID: Reference7802

Other Names: Arjunic acid;
Olean-12-en-28-oic acid, 2,3,19-trihydroxy-, (2α,3β,19α)-

Formula: C30H48O5

Spectral Data

(2α,3β,19α)-2,3,19-Trihydroxyolean-12-en-28-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 152
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/18/2018 9:00:16 AM
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Identificators

InChI InChI=1S/C30H48O5/c1-25(2)12-14-30(24(34)35)15-13-28(6)17(21(30)23(25)33)8-9-20-27(5)16-18(31)22(32)26(3,4)19(27)10-11-29(20,28)7/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19+,20-,21-,22+,23+,27+,28-,29-,30+/m1/s1
InChI Key XJMYUPJDAFKICJ-YZTGESMESA-N
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C)O)O)C)C)C2C1O)C)C(=O)O)C
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Other Names Arjunic acid;
Olean-12-en-28-oic acid, 2,3,19-trihydroxy-, (2α,3β,19α)-

In Other Databases

ChemSpider 10217402
PubChem 15385516
ChEMBL CHEMBL515705