Skip Navigation Links
ScientificNameLabel
cryptopinone
PHCD compound ID : 2100
Chemical Names :
cryptopinone
Molecular Formula : C20H30O1
Molecular Weight : 286.229666
More Details :
Names & Synonyms: 1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde , 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxaldehyde , 7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carbaldehyde
Smiles: C=C[C@]1(C)CC[C@@H]2C(=C1)CC[C@H]1[C@@]2(C)CCC[C@@]1(C)C=O
InChi : InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13-14,16-17H,1,6-12H2,2-4H3/t16-,17-,18-,19+,20+/m1/s1
InChi Key : InChIKey=JKBKXKTXDKYEOR-UEDWAMCQSA-N
PubChem ID : 620819
Rotatable bond count : 2 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.274318
Hydrogen bond donor count : 0 Electric dipole moment : 2.385
XLogP : 7.349 VDW volume : 318.287626
Molecular weight : 286.229666 HOMO-LUMO gap : 10.165000
Herb list :
Refrences & Litretures:
  
250.      Journal:'Revista Cubana de Qu?mica'      Year:'2010'      Volume:'XXII'      Page:'65'      DOI:''      Title:'CHEMICAL CONSTITUENTS OF Tamarindus indica L. LEAVES'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us