Arjungenin

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Systematic / IUPAC Name: (2α,3β,19α)-2,3,19,23-Tetrahydroxyolean-12-en-28-oic acid

ID: Reference7797

Other Names: (1S,4aR,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-1,10,11-Trihydroxy-9-(hydroxymethyl)-2,2,6A,6B,9,12A-hexamethyl-1,3,4,5,6,7,8,8A,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid ;
Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2α,3β,4β,19α)-

Formula: C30H48O6

Spectral Data

Arjungenin 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 4/18/2018 5:55:13 AM
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Identificators

InChI InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26+,27+,28-,29-,30+/m1/s1
InChI Key IFIQVSCCFRXSJV-NWCCWSSZSA-N
Canonical SMILES CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)O)C
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Other Names (1S,4aR,6aS,6bR,8aR,9R,10R,11R,12aR,12bR,14bS)-1,10,11-Trihydroxy-9-(hydroxymethyl)-2,2,6A,6B,9,12A-hexamethyl-1,3,4,5,6,7,8,8A,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid ;
Olean-12-en-28-oic acid, 2,3,19,23-tetrahydroxy-, (2α,3β,4β,19α)-

In Other Databases

ChemSpider 10217459
PubChem 12444386
ChEMBL CHEMBL499598