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Hexadecah ydropyrane
PHCD compound ID : 5385
Chemical Names :
Hexadecah ydropyrane
Molecular Formula : C16H26
Molecular Weight : 218.203451
More Details :
Names & Synonyms: 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene , 1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
Smiles: C1C[C@@H]2CC[C@H]3[C@H]4[C@H]2[C@@H](C1)CC[C@H]4CCC3
InChi : InChI=1S/C16H26/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h11-16H,1-10H2/t11-,12+,13+,14-,15-,16-
InChi Key : InChIKey=BYBPEZLZCGOWIS-HJXYQNPNSA-N
PubChem ID : 75524
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.878201
Hydrogen bond donor count : 0 Electric dipole moment : 0.057
XLogP : 7.718 VDW volume : 235.866378
Molecular weight : 218.203451 HOMO-LUMO gap : 13.648000
Herb list :
Refrences & Litretures:
  
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
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