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ScientificNameLabel
Neohop-12-ene
PHCD compound ID : 1755
Chemical Names :
Neohop-12-ene
Molecular Formula : C30H50
Molecular Weight : 410.391252
More Details :
Names & Synonyms: (5bR,11aS,13bR)-3-isopropyl-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene , (5bR,11aS,13bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13b-tetradecahydrocyclopenta[a]chrysene
Smiles: CC([C@@H]1CC[C@@H]2[C@@]1(C)CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C
InChi : InChI=1S/C30H50/c1-20(2)21-10-11-22-23-12-13-25-28(6)16-9-15-26(3,4)24(28)14-17-30(25,8)29(23,7)19-18-27(21,22)5/h12,20-22,24-25H,9-11,13-19H2,1-8H3/t21-,22-,24-,25+,27-,28-,29+,30+/m0/s1
InChi Key : InChIKey=CFSDWXPIIWGIDB-TTWXWSBCSA-N
PubChem ID : 5320088
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.908158
Hydrogen bond donor count : 0 Electric dipole moment : 0.336
XLogP : 13.955 VDW volume : 463.017245
Molecular weight : 410.391252 HOMO-LUMO gap : 10.394000
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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