Skip Navigation Links
ScientificNameLabel
Dehydroxy-isocalamendiol
PHCD compound ID : 497
Chemical Names :
Dehydroxy-isocalamendiol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 5-isopropyl-8-methyl-3-methylene-1,2,4,7,8,8a-hexahydronaphthalen-4a-ol , 8-methyl-3-methylene-5-propan-2-yl-1,2,4,7,8,8a-hexahydronaphthalen-4a-ol , 8-methyl-3-methylidene-5-propan-2-yl-1,2,4,7,8,8a-hexahydronaphthalen-4a-ol
Smiles: C=C1CC[C@@H]2[C@@](C1)(O)C(=CC[C@H]2C)C(C)C
InChi : InChI=1S/C15H24O/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13,14)16/h8,10,12,14,16H,3,5-7,9H2,1-2,4H3/t12-,14+,15+/m1/s1
InChi Key : InChIKey=LZJKACCRRXUWAR-SNPRPXQTSA-N
PubChem ID : 535379
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.301214
Hydrogen bond donor count : 1 Electric dipole moment : 1.972
XLogP : 2.991 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.292000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us