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ScientificNameLabel
isoabienol
PHCD compound ID : 4814
Chemical Names :
isoabienol
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms: (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylenepent-4-enyl)decalin-2-ol , (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol , (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylidenepent-4-enyl)-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Smiles: C=CC(=C)CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C
InChi : InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17+,19-,20+/m0/s1
InChi Key : InChIKey=JTWQQJDENGGSBJ-KVPLUYHFSA-N
PubChem ID : 11220007
Rotatable bond count : 4 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.434119
Hydrogen bond donor count : 1 Electric dipole moment : 2.339
XLogP : 7.48 VDW volume : 333.280543
Molecular weight : 290.260966 HOMO-LUMO gap : 9.928000
Herb list :
Refrences & Litretures:
  
777.      Journal:'Molecules'      Year:'2009'      Volume:'14'      Page:'1438'      DOI:'10.3390/molecules14041438'      Title:'Chemical Composition and Biological Activities of Essential Oil from Salvia sclarea Plants Regenerated in vitro'
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