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ScientificNameLabel
hop-17(21)-ene
PHCD compound ID : 5640
Chemical Names :
hop-17(21)-ene
Molecular Formula : C30H50
Molecular Weight : 410.391252
More Details :
Names & Synonyms: (5aR,5bR,11aS,13bR)-3-isopropyl-5a,5b,8,8,11a,13b-hexamethyl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene , (5aR,5bR,11aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene , (5aR,5bR,11aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene
Smiles: CC(C1=C2CC[C@@]3([C@@H]([C@]2(CC1)C)CC[C@H]1[C@@]3(C)CC[C@@H]2[C@]1(C)CCCC2(C)C)C)C
InChi : InChI=1S/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h20,23-25H,9-19H2,1-8H3/t23-,24+,25+,27-,28-,29+,30+/m0/s1
InChi Key : InChIKey=BJFPMDGPOFJGIR-WWJAXWOYSA-N
PubChem ID : 12310613
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.730431
Hydrogen bond donor count : 0 Electric dipole moment : 0.108
XLogP : 13.404 VDW volume : 463.017245
Molecular weight : 410.391252 HOMO-LUMO gap : 10.222000
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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