(5ξ,9ξ)-17-Hydroxykaur-15-en-19-oic acid

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Systematic / IUPAC Name: (5ξ,9ξ)-17-Hydroxykaur-15-en-19-oic acid

ID: Reference7793

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

Formula: C20H30O3

Spectral Data

(5ξ,9ξ)-17-Hydroxykaur-15-en-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 FAIMS
No. of Spectral Trees 1
No. of Spectra 359
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/17/2018 9:49:54 AM
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Identificators

InChI InChI=1S/C20H30O3/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/h11,13,15-16,21H,3-10,12H2,1-2H3,(H,22,23)/t13?,15?,16?,18-,19-,20?/m0/s1
InChI Key XEQHVCXFKPCQNM-DPARUAOCSA-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,?]hexadec-14-ene-5-carboxylic acid

In Other Databases

ChemSpider 22913082
PubChem 24094137