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17,29-Epoxyhopane
PHCD compound ID : 1757
Chemical Names :
17,29-Epoxyhopane
Molecular Formula : C30H50O1
Molecular Weight : 426.386166
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CO[C@]23[C@@H]1CC[C@]3(C)[C@@H]1[C@](CC2)(C)[C@]2(C)CC[C@@H]3[C@]([C@H]2CC1)(C)CCCC3(C)C
InChi : InChI=1S/C30H50O/c1-20-19-31-30-18-17-28(6)24(29(30,7)15-11-21(20)30)10-9-23-26(4)14-8-13-25(2,3)22(26)12-16-27(23,28)5/h20-24H,8-19H2,1-7H3/t20-,21-,22+,23-,24+,26+,27-,28-,29-,30+/m1/s1
InChi Key : InChIKey=PYWXNKTVYQCGDP-VAWCIIQMSA-N
PubChem ID :
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.254273
Hydrogen bond donor count : 0 Electric dipole moment : 1.590
XLogP : 11.668 VDW volume : 462.087472
Molecular weight : 426.386166 HOMO-LUMO gap : 11.886000
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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