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Compound: 5546
Plants: 312
References: 992
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Linolenyl alcohol
ScientificNameLabel
Linolenyl alcohol
PHCD compound ID :
2605
Chemical Names :
Linolenyl alcohol
Molecular Formula :
C18H32O1
Molecular Weight :
264.245316
More Details :
Names & Synonyms:
(9Z,12Z,15Z)-octadeca-9,12,15-trien-1-ol , (9Z,12Z,15Z)-1-octadeca-9,12,15-trienol
Smiles:
OCCCCCCCC/C=C\C/C=C\C/C=C\CC
InChi :
InChI=1S/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3/b4-3-,7-6-,10-9-
InChi Key :
InChIKey=IKYKEVDKGZYRMQ-PDBXOOCHSA-N
PubChem ID :
6436081
Rotatable bond count :
13
Rule of five :
2
Hydrogen bond acceptor count :
1
Ionization potential :
9.589999
Hydrogen bond donor count :
1
Electric dipole moment :
1.593
XLogP :
7.647
VDW volume :
320.765033
Molecular weight :
264.245316
HOMO-LUMO gap :
10.623000
Herb list :
White mustard - Sinapis alba - خردل سفید
Refrences & Litretures:
303. Journal:'Chemistry of Natural Compounds' Year:'2013' Volume:'49' Page:'557' DOI:'' Title:'CHEMICAL COMPOSITION OF MACERATED PLANT PARTS OF WHITE MUSTARD Sinapis alba'
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