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ScientificNameLabel
bicyclovetivenol
PHCD compound ID : 5226
Chemical Names :
bicyclovetivenol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: 2-[(4S)-4-methyl-8-methylene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl]propan-2-ol , 2-[(4S)-4-methyl-8-methylene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl]-2-propanol , 2-[(4S)-4-methyl-8-methylidene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl]propan-2-ol , 2-[(4S)-4-methyl-8-methylidene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-2-yl]propan-2-ol
Smiles: C[C@H]1CCCC(=C)[C@H]2[C@H]1C[C@@H](C2)C(O)(C)C
InChi : InChI=1S/C15H26O/c1-10-6-5-7-11(2)14-9-12(8-13(10)14)15(3,4)16/h11-14,16H,1,5-9H2,2-4H3/t11-,12+,13-,14-/m0/s1
InChi Key : InChIKey=VCECLBDDLTXHHP-CRWXNKLISA-N
PubChem ID : 91748522
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.401397
Hydrogen bond donor count : 1 Electric dipole moment : 2.060
XLogP : 4.732 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.845000
Herb list :
Refrences & Litretures:
  
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
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