3-Hydroxyurs-12-en-23-oic acid

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Systematic / IUPAC Name: 3-Hydroxy-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: Reference7663

Other Names: Urs-12-en-23-oic acid, 3-hydroxy-

Formula: C30H48O3

Spectral Data

3-Hydroxyurs-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 10:47:14 AM
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Identificators

InChI InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)
InChI Key NBGQZFQREPIKMG-UHFFFAOYSA-N
Canonical SMILES CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)O)C)C)C2C1C)C)C
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Other Names Urs-12-en-23-oic acid, 3-hydroxy-

In Other Databases

ChemSpider 4357796
PubChem 5185849