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Cacospongin D

View entire compound with spectra: 1 MS (GC)

Cacospongin D
SpectraBase Compound ID JTyS27Zed7X
InChI InChI=1S/C27H38O3/c1-19(11-13-22-18-23(26(29)30)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-27(24,4)5/h9,11,14,16,18,28H,6-8,10,12-13,15,17H2,1-5H3,(H,29,30)/b19-11+,20-9+
InChIKey QQJLPYXRXOCODZ-ZQYJZOSASA-N
Mol Weight 410.6 g/mol
Molecular Formula C27H38O3
Exact Mass 410.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NohvBSlTDl
Name Cacospongin D
Alternate Name(s) 3-[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,6-dienyl]-4-hydroxybenzoic acid 3-[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-4-hydroxy-benzoic acid 3-[(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,6-dienyl]-4-oxidanyl-benzoic acid
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Formula C27H38O3
InChI InChI=1S/C27H38O3/c1-19(11-13-22-18-23(26(29)30)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-27(24,4)5/h9,11,14,16,18,28H,6-8,10,12-13,15,17H2,1-5H3,(H,29,30)/b19-11+,20-9+
InChIKey QQJLPYXRXOCODZ-ZQYJZOSASA-N
Molecular Weight 410.598 g/mol
SMILES OC(c1cc(c(cc1)O)C\C=C\(CC\C=C\(CCC1=C(CCCC1(C)C)C)C)C)=O
SPLASH splash10-0fdk-5900000000-96e1b172f4b328f2d83b
Source of Spectrum F-56-9029-4
Wiley ID 859230