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Compound: 5546
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References: 992
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Silphiperfol-6-ene
ScientificNameLabel
Silphiperfol-6-ene
PHCD compound ID :
2120
Chemical Names :
Silphiperfol-6-ene
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
(3R,3aS,5aS,8aS)-3,5a,7,8-tetramethyl-2,3,3a,4,5,6-hexahydro-1H-cyclopenta[h]pentalene
Smiles:
C[C@@H]1CC[C@@]23[C@H]1CC[C@@]3(C)CC(=C2C)C
InChi :
InChI=1S/C15H24/c1-10-5-8-15-12(3)11(2)9-14(15,4)7-6-13(10)15/h10,13H,5-9H2,1-4H3/t10-,13+,14+,15+/m1/s1
InChi Key :
InChIKey=VIXZYZFZHINXMQ-KJEVXHAQSA-N
PubChem ID :
10867444
Rotatable bond count :
0
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
8.689163
Hydrogen bond donor count :
0
Electric dipole moment :
0.151
XLogP :
5.957
VDW volume :
228.290393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.219000
Herb list :
- Iris nigrican - زنبق سیاه چرده
Mountain tobacco - Arnica montana - تنباکوی کوهی
Refrences & Litretures:
252. Journal:'Industrial Crops and Products' Year:'2012' Volume:'39' Page:'177' DOI:'10.1016/j.indcrop.2012.02.030' Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
861. Journal:'Arabian Journal of Chemistry' Year:'2016' Volume:'9' Page:'S1190' DOI:'10.1016/j.arabjc.2012.01.003' Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
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