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ScientificNameLabel
(-)-Allo-spathulenol
PHCD compound ID : 1909
Chemical Names :
(-)-Allo-spathulenol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (7S)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol , (7S)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol , (7S)-1,1,7-trimethyl-4-methylene-1a,2,3,4a,5,6,7a,7b-octahydrocycloprop[h]azulen-7-ol
Smiles: C=C1CC[C@@H]2[C@H]([C@H]3[C@@H]1CC[C@]3(C)O)C2(C)C
InChi : InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11-,12-,13-,15+/m1/s1
InChi Key : InChIKey=FRMCCTDTYSRUBE-HVNMYJMUSA-N
PubChem ID : 6432640
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.572423
Hydrogen bond donor count : 1 Electric dipole moment : 1.990
XLogP : 4.157 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.913000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
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