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ScientificNameLabel
Isoglaucanone
PHCD compound ID : 1762
Chemical Names :
Isoglaucanone
Molecular Formula : C27H44O1
Molecular Weight : 384.339216
More Details :
Names & Synonyms: (3aR,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a,13b-hexamethyl-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysen-3-one
Smiles: O=C1CC[C@]2([C@H]1CC[C@@]1([C@@H]2CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCCC1(C)C)C)C
InChi : InChI=1S/C27H44O/c1-23(2)13-7-14-25(4)20(23)12-17-27(6)22(25)9-8-21-24(3)15-11-19(28)18(24)10-16-26(21,27)5/h18,20-22H,7-17H2,1-6H3/t18-,20-,21+,22+,24-,25-,26+,27+/m0/s1
InChi Key : InChIKey=QHZGEIFOKNRJQD-XRKQHCPOSA-N
PubChem ID : 14605586
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.645886
Hydrogen bond donor count : 0 Electric dipole moment : 3.565
XLogP : 10.93 VDW volume : 419.919518
Molecular weight : 384.339216 HOMO-LUMO gap : 10.779000
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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