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Tau-Muurolene
ScientificNameLabel
Tau-Muurolene
PHCD compound ID :
605
Chemical Names :
Tau-Muurolene
Molecular Formula :
C15H24
Molecular Weight :
204.187801
More Details :
Names & Synonyms:
1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , 7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene , 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
Smiles:
CC1=C[C@H]2[C@H](CC1)C(=C)CC[C@@H]2C(C)C
InChi :
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13-15H,4-8H2,1-3H3/t13-,14-,15-/m1/s1
InChi Key :
InChIKey=WRHGORWNJGOVQY-RBSFLKMASA-N
PubChem ID :
15094
Rotatable bond count :
1
Rule of five :
1
Hydrogen bond acceptor count :
0
Ionization potential :
9.155008
Hydrogen bond donor count :
0
Electric dipole moment :
0.825
XLogP :
5.942
VDW volume :
238.010393
Molecular weight :
204.187801
HOMO-LUMO gap :
10.484000
Herb list :
Fig - Ficus carica - انجیر، شال انجیر
Refrences & Litretures:
35. Journal:'Food Chemistry' Year:'2010' Volume:'123' Page:'548' DOI:'10.1016/j.foodchem.2010.04.064' Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
37. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'3393' DOI:'10.1021/jf9039759' Title:'Chemical Assessment and in Vitro Antioxidant Capacity of Ficus carica Latex'
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