3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzaldehyde

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Systematic / IUPAC Name: 3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzaldehyde

ID: Reference7697

Other Names: Ilicicolin A;
3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde ;
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-;
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-

Formula: C23H31ClO3

Spectral Data

3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]benzaldehyde 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 4/4/2018 12:24:45 PM
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Identificators

InChI InChI=1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+
InChI Key MHWOMRMBQGSTFS-JTCWOHKRSA-N
Canonical SMILES CC1=C(C(=C(C(=C1Cl)O)CC=C(C)CCC=C(C)CCC=C(C)C)O)C=O
CAS
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Other Names Ilicicolin A;
3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]benzaldehyde ;
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-;
Benzaldehyde, 3-chloro-4,6-dihydroxy-2-methyl-5-[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-

In Other Databases

PubChem 6445117
ChemIDPlus 022581062
ChemSpider 4948925