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iso-longifolan-7-alpha-ol
ScientificNameLabel
iso-longifolan-7-alpha-ol
PHCD compound ID :
5396
Chemical Names :
iso-longifolan-7-alpha-ol
Molecular Formula :
C15H26O1
Molecular Weight :
222.198365
More Details :
Names & Synonyms:
(3R,6S,9S)-2,2,8,8-tetramethyl-octahydro-1H-2,4a-methanonapthalen-9-ol , (3
R
,6
S
,9
S
)-2,2,8,8-tetramethyl-octahydro-1
H
-2,4
a
-methanonapthalen-9-ol
Smiles:
CC1(C)[C@H]2CC[C@@]3([C@]1(O)CCCC3(C)C)C2
InChi :
InChI=1S/C15H26O/c1-12(2)7-5-8-15(16)13(3,4)11-6-9-14(12,15)10-11/h11,16H,5-10H2,1-4H3/t11-,14+,15-/m0/s1
InChi Key :
InChIKey=CCMWYZQSEJEAEY-GLQYFDAESA-N
PubChem ID :
1753956
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
1
Ionization potential :
9.743741
Hydrogen bond donor count :
1
Electric dipole moment :
1.696
XLogP :
4.43
VDW volume :
239.717079
Molecular weight :
222.198365
HOMO-LUMO gap :
12.993000
Herb list :
Daneweed, Davewort - Sambucus ebulus - پلم، شوند، آقطی
Refrences & Litretures:
889. Journal:'Pharmacologyonline' Year:'2018' Volume:'1' Page:'231' DOI:'' Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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