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ScientificNameLabel
cycloartanol linolate
PHCD compound ID : 5646
Chemical Names :
cycloartanol linolate
Molecular Formula : C48H82O2
Molecular Weight : 690.631482
More Details :
Names & Synonyms:
Smiles: CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@]23[C@H](C1(C)C)CC[C@@H]1[C@@]3(C2)CC[C@]2([C@@]1(C)CC[C@@H]2[C@@H](CCCC(C)C)C)C
InChi : InChI=1S/C48H82O2/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-43(49)50-42-31-33-47-36-48(47)35-34-45(7)39(38(4)26-24-25-37(2)3)30-32-46(45,8)41(48)29-28-40(47)44(42,5)6/h13-14,16-17,37-42H,9-12,15,18-36H2,1-8H3/b14-13-,17-16-/t38-,39-,40+,41+,42+,45-,46+,47-,48+/m1/s1
InChi Key : InChIKey=VWAZGDXYLUKOJO-GXAKZERESA-N
PubChem ID :
Rotatable bond count : 21 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.532323
Hydrogen bond donor count : 0 Electric dipole moment : 2.175
XLogP : 21.463 VDW volume : 786.652505
Molecular weight : 690.631482 HOMO-LUMO gap : 10.644000
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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