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ScientificNameLabel
cyclopodmenyl acetate
PHCD compound ID : 5655
Chemical Names :
cyclopodmenyl acetate
Molecular Formula : C35H58O2
Molecular Weight : 510.443681
More Details :
Names & Synonyms:
Smiles: CCC(=C)C(CC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)OC(=O)C)C)C)(C)C
InChi : InChI=1S/C35H58O2/c1-11-24(3)30(5,6)17-14-23(2)26-15-18-33(10)28-13-12-27-31(7,8)29(37-25(4)36)16-19-34(27)22-35(28,34)21-20-32(26,33)9/h23,26-29H,3,11-22H2,1-2,4-10H3/t23-,26-,27+,28+,29+,32-,33+,34-,35+/m1/s1
InChi Key : InChIKey=UTMCOYCVYHNHLU-HLZHPGJHSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.534306
Hydrogen bond donor count : 0 Electric dipole moment : 2.151
XLogP : 14.086 VDW volume : 564.441163
Molecular weight : 510.443681 HOMO-LUMO gap : 10.819000
Herb list :
Refrences & Litretures:
  
953.      Journal:'European Medicines Agency'      Year:'2008'      Volume:''      Page:''      DOI:''      Title:'ASSESSMENT REPORT ON POLYPODIUM VULGARE L., RHIZOMA'
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