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ScientificNameLabel
Adian-5-ene
PHCD compound ID : 1754
Chemical Names :
Adian-5-ene
Molecular Formula : C30H50
Molecular Weight : 410.391252
More Details :
Names & Synonyms:
Smiles: CC([C@H]1CC[C@@H]2[C@]1(C)CC[C@]1([C@@]2(C)CC[C@@]2([C@@H]1CC=C1[C@H]2CCCC1(C)C)C)C)C
InChi : InChI=1S/C30H50/c1-20(2)21-11-13-24-27(21,5)16-18-30(8)25-14-12-22-23(10-9-15-26(22,3)4)28(25,6)17-19-29(24,30)7/h12,20-21,23-25H,9-11,13-19H2,1-8H3/t21-,23-,24-,25+,27-,28+,29+,30-/m1/s1
InChi Key : InChIKey=WZDKBHGEBSMIQO-CTXSZRMBSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.959334
Hydrogen bond donor count : 0 Electric dipole moment : 0.176
XLogP : 13.955 VDW volume : 463.017245
Molecular weight : 410.391252 HOMO-LUMO gap : 10.481000
Herb list :
Refrences & Litretures:
  
196.      Journal:'Chem. Pharm. Bull'      Year:'1999'      Volume:'47'      Page:'543'      DOI:''      Title:'Fern Constituents: Six New Triterpenoid Alcohols from Adiantum capillus-veneris'
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