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ScientificNameLabel
Acorenone B
PHCD compound ID : 3012
Chemical Names :
Acorenone B
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1S,4S,5R)-4-isopropyl-1,8-dimethyl-spiro[4.5]dec-7-en-9-one , (1S,4S,5R)-1,8-dimethyl-4-propan-2-yl-9-spiro[4.5]dec-7-enone , (1S,4S,5R)-1,8-dimethyl-4-propan-2-ylspiro[4.5]dec-7-en-9-one , (1S,4S,5R)-1,8-dimethyl-4-propan-2-yl-spiro[4.5]dec-7-en-9-one
Smiles: O=C1C[C@]2(CC=C1C)[C@@H](C)CC[C@H]2C(C)C
InChi : InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15+/m0/s1
InChi Key : InChIKey=HBTHUBMUAHAWBC-KCQAQPDRSA-N
PubChem ID : 21674978
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.716385
Hydrogen bond donor count : 0 Electric dipole moment : 3.726
XLogP : 4.992 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 9.840000
Herb list :
Refrences & Litretures:
  
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
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