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ScientificNameLabel
Trisnorhopane
PHCD compound ID : 1749
Chemical Names :
Trisnorhopane
Molecular Formula : C27H46
Molecular Weight : 370.359951
More Details :
Names & Synonyms: (3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
Smiles: CC1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@H]1[C@]2(C)CCC1)C)C
InChi : InChI=1S/C27H46/c1-23(2)14-8-16-25(4)20(23)13-18-27(6)22(25)11-10-21-24(3)15-7-9-19(24)12-17-26(21,27)5/h19-22H,7-18H2,1-6H3/t19-,20-,21+,22+,24-,25-,26+,27+/m0/s1
InChi Key : InChIKey=WPKYQECPNNWDJY-VKTCPCIPSA-N
PubChem ID : 14283207
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.560455
Hydrogen bond donor count : 0 Electric dipole moment : 0.127
XLogP : 13.639 VDW volume : 413.76575
Molecular weight : 370.359951 HOMO-LUMO gap : 13.248000
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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