6,18,19-Trihydroxytrachyloban-2-one

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Systematic / IUPAC Name: 6,18,19-Trihydroxytrachyloban-2-one

ID: Reference7870

Other Names: 3-Hydroxy-5,5-bis(hydroxymethyl)-9,13-dimethylpentacyclo[11.2.1.0¹,¹°.04,?.0¹²,¹4]hexadecan-7-one

Formula: C20H30O4

Spectral Data

6,18,19-Trihydroxytrachyloban-2-one 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 2
No. of Spectra 2949
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 5/1/2018 10:48:54 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-17-4-11(23)5-20(9-21,10-22)16(17)14(24)7-19-6-13-12(3-15(17)19)18(13,2)8-19/h12-16,21-22,24H,3-10H2,1-2H3
InChI Key WTOYNGQRGOLPNU-UHFFFAOYSA-N
Canonical SMILES CC12CC(=O)CC(C1C(CC34C2CC5C(C3)C5(C4)C)O)(CO)CO
CAS
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Other Names 3-Hydroxy-5,5-bis(hydroxymethyl)-9,13-dimethylpentacyclo[11.2.1.0¹,¹°.04,?.0¹²,¹4]hexadecan-7-one

In Other Databases

PubChem 23983652
ChemSpider 22369985