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ScientificNameLabel
Spathulene
PHCD compound ID : 2785
Chemical Names :
Spathulene
Molecular Formula : C15H22
Molecular Weight : 202.172151
More Details :
Names & Synonyms: (1aR,4aR,7aR,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,7a,7b-hexahydro-1aH-cyclopropa[e]azulene , (1aR,4aR,7aR,7bR)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,7a,7b-hexahydro-1aH-cyclopropa[e]azulene , (1aR,4aR,7aR,7bR)-1,1,7-trimethyl-4-methylene-2,3,4a,5,7a,7b-hexahydro-1aH-cycloprop[e]azulene
Smiles: CC1=CC[C@@H]2[C@@H]1[C@H]1[C@H](C1(C)C)CCC2=C
InChi : InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,11-14H,1,6-8H2,2-4H3/t11-,12+,13+,14+/m0/s1
InChi Key : InChIKey=HDUMORZKKNOYSS-REWJHTLYSA-N
PubChem ID : 15923779
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.094973
Hydrogen bond donor count : 0 Electric dipole moment : 1.394
XLogP : 5.578 VDW volume : 225.653935
Molecular weight : 202.172151 HOMO-LUMO gap : 10.352000
Herb list :
Refrences & Litretures:
  
331.      Journal:'J. Asia-Pacific Entomol'      Year:'2006'      Volume:'9'      Page:'381'      DOI:''      Title:'Chemical Composition and Insecticidal Activity of Artemisia scoperte Essential Oil against Three Coleopteran Stored-Product Insects'
851.      Journal:'J. Essent. Oil Res'      Year:'1995'      Volume:'7'      Page:'147'      DOI:'10.1080/10412905.1995.9698489'      Title:'Chemical Composition of Eucalyptus globulus Oils from the Montenegro Coast and East Coast of Spain'
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