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ScientificNameLabel
10-epi-beta-acoradiene
PHCD compound ID : 5553
Chemical Names :
10-epi-beta-acoradiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4S,5R)-4-isopropenyl-1,8-dimethyl-spiro[4.5]dec-8-ene , (1S,4S,5R)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-8-ene , (1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene , (1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-ylspiro[4.5]dec-8-ene , (1S,4S,5R)-1,8-dimethyl-4-prop-1-en-2-yl-spiro[4.5]dec-8-ene
Smiles: CC1=CC[C@]2(CC1)[C@@H](C)CC[C@H]2C(=C)C
InChi : InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=DVBSKQAFCDJNSL-KKUMJFAQSA-N
PubChem ID : 102207117
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.029960
Hydrogen bond donor count : 0 Electric dipole moment : 0.447
XLogP : 6.149 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.278000
Herb list :
Refrences & Litretures:
  
939.      Journal:'Cellular and Molecular Biology'      Year:'2017'      Volume:'63'      Page:'1'      DOI:'10.14715/cmb/2017.63.9.1'      Title:'Bioactive chemical compounds in Eremurus persicus (Joub. & Spach) Boiss. essential oil and their health implications'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
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