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ScientificNameLabel
9-19-Cycloanost-6-ene-3,7-diol
PHCD compound ID : 1491
Chemical Names :
9-19-Cycloanost-6-ene-3,7-diol
Molecular Formula : C30H50O2
Molecular Weight : 442.381081
More Details :
Names & Synonyms:
Smiles: CC(CCC[C@H]([C@@H]1CC[C@@]2([C@@]1(C)CC[C@@]13[C@H]2C(=C[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O)O)C)C)C
InChi : InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)21-11-13-28(7)25-22(31)17-23-26(4,5)24(32)12-14-29(23)18-30(25,29)16-15-27(21,28)6/h17,19-21,23-25,31-32H,8-16,18H2,1-7H3/t20-,21+,23+,24+,25+,27+,28+,29-,30+/m1/s1
InChi Key : InChIKey=OWWGPVQUQSIHDO-LFAACFAYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 8.892001
Hydrogen bond donor count : 2 Electric dipole moment : 1.910
XLogP : 10.785 VDW volume : 480.597699
Molecular weight : 442.381081 HOMO-LUMO gap : 10.182000
Herb list :
Refrences & Litretures:
  
160.      Journal:'Natural Product Research'      Year:'2012'      Volume:'26'      Page:'802'      DOI:'10.1080/14786419.2011.558013'      Title:'Composition of essential oil and biological activity of extracts of Viola odorata L. from central Iran'
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