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Dihydrolanosterol
PHCD compound ID : 1988
Chemical Names :
Dihydrolanosterol
Molecular Formula : C30H52O1
Molecular Weight : 428.401816
More Details :
Names & Synonyms: (3S,5R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CCC1=C2CC[C@@H]2[C@]1(C)CC[C@@H](C2(C)C)O)C)C)C
InChi : InChI=1S/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h20-22,25-26,31H,9-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1
InChi Key : InChIKey=MBZYKEVPFYHDOH-BQNIITSRSA-N
PubChem ID : 440560
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.775086
Hydrogen bond donor count : 1 Electric dipole moment : 2.137
XLogP : 11.067 VDW volume : 484.163931
Molecular weight : 428.401816 HOMO-LUMO gap : 10.227000
Herb list :
Refrences & Litretures:
  
237.      Journal:'Industrial Crops and Products'      Year:'2009'      Volume:'30'      Page:'199'      DOI:'10.1016/j.indcrop.2009.03.007'      Title:'Composition and physical properties of cress (Lepidium sativum L.) and ?eld pennycress (Thlaspi arvense L.) oil'
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