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ScientificNameLabel
Agarospirol
PHCD compound ID : 801
Chemical Names :
Agarospirol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-[(3R,5R,6R)-6,10-dimethylspiro[4.5]dec-9-en-3-yl]propan-2-ol , 2-[(3R,5R,6R)-6,10-dimethyl-3-spiro[4.5]dec-9-enyl]-2-propanol
Smiles: C[C@@H]1CCC=C([C@]21CC[C@H](C2)C(O)(C)C)C
InChi : InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m1/s1
InChi Key : InChIKey=ICWHTQRTTHCUHW-NFAWXSAZSA-N
PubChem ID : 21675005
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.004486
Hydrogen bond donor count : 1 Electric dipole moment : 2.009
XLogP : 4.591 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.519000
Herb list :
Refrences & Litretures:
  
55.      Journal:'Food Chemistry'      Year:'2013'      Volume:'138'      Page:'2180'      DOI:'10.1016/j.foodchem.2012.11.131'      Title:'Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: Effect of collection time'
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