(5ξ,9ξ,16ξ)-17-Hydroxykauran-19-oic acid

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Systematic / IUPAC Name: (5ξ,9ξ,16ξ)-17-Hydroxykauran-19-oic acid

ID: Reference7379

Other Names: (5S,9R)-14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹°.04,?]hexadecane-5-carboxylic acid

Formula: C20H32O3

Spectral Data

(5ξ,9ξ,16ξ)-17-Hydroxykauran-19-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
No. of Spectral Trees 2
No. of Spectra 7199
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/12/2018 8:33:50 AM
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Identificators

InChI InChI=1S/C20H32O3/c1-18-7-3-8-19(2,17(22)23)15(18)6-9-20-10-13(4-5-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13?,14?,15?,16?,18-,19-,20?/m0/s1
InChI Key HHAMKMUMKLXDFQ-KFRFNOKNSA-N
Canonical SMILES CC12CCCC(C1CCC34C2CCC(C3)C(C4)CO)(C)C(=O)O
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Other Names (5S,9R)-14-(Hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹°.04,?]hexadecane-5-carboxylic acid

In Other Databases

PubChem 45359746
ChemSpider 22913537