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Compound: 5546
Plants: 312
References: 992
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Tetratriacontanal
ScientificNameLabel
Tetratriacontanal
PHCD compound ID :
932
Chemical Names :
Tetratriacontanal
Molecular Formula :
C34H68O1
Molecular Weight :
492.527017
More Details :
Names & Synonyms:
tetratriacontanal , geddaldehyde
Smiles:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
InChi :
InChI=1S/C34H68O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35/h34H,2-33H2,1H3
InChi Key :
InChIKey=ZSRZISBVEUGQRU-UHFFFAOYSA-N
PubChem ID :
13872005
Rotatable bond count :
32
Rule of five :
2
Hydrogen bond acceptor count :
1
Ionization potential :
10.056013
Hydrogen bond donor count :
0
Electric dipole moment :
2.981
XLogP :
18.226
VDW volume :
602.773704
Molecular weight :
492.527017
HOMO-LUMO gap :
10.867000
Herb list :
Thyme, Garden thyme - Thymus vulgaris - آويشن باغی
Refrences & Litretures:
74. Journal:'Food Chemistry' Year:'1998' Volume:'63' Page:'373' DOI:'' Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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