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ScientificNameLabel
Sandaracopimaradiene
PHCD compound ID : 4026
Chemical Names :
Sandaracopimaradiene
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms: (4aS,4bS,7R,10aS)-1,1,4a,7-tetramethyl-7-vinyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene , (4aS,4bS,7R,10aS)-7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene
Smiles: C=C[C@@]1(C)CC[C@H]2C(=C1)CC[C@@H]1[C@]2(C)CCCC1(C)C
InChi : InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3/t16-,17-,19-,20+/m0/s1
InChi Key : InChIKey=XDSYKASBVOZOAG-QGZVKYPTSA-N
PubChem ID : 443469
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.102510
Hydrogen bond donor count : 0 Electric dipole moment : 0.844
XLogP : 9.429 VDW volume : 312.133858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.448000
Herb list :
Refrences & Litretures:
  
555.      Journal:'Int. J. Adv. Biol. Biom. Res'      Year:'2015'      Volume:'3'      Page:'270'      DOI:''      Title:'The Chemical Composition and Antimicrobial Activity of Essential Oils of Vaccinium Arctostaphylos L'
556.      Journal:'Int. J. Agri. Biol'      Year:'2006'      Volume:'8'      Page:'8530'      DOI:''      Title:'Essential Oils of Qare-Qat (Vaccinium arctostaphylos) Shoots and Chemical Composition of Berries'
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