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ScientificNameLabel
Fucosterol
PHCD compound ID : 4671
Chemical Names :
Fucosterol
Molecular Formula : C29H48O1
Molecular Weight : 412.370516
More Details :
Names & Synonyms: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Smiles: C/C=C(/C(C)C)\CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C
InChi : InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3/b21-7+/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=OSELKOCHBMDKEJ-JUGJNGJRSA-N
PubChem ID : 5281328
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.187637
Hydrogen bond donor count : 1 Electric dipole moment : 1.372
XLogP : 10.629 VDW volume : 464.231487
Molecular weight : 412.370516 HOMO-LUMO gap : 10.431000
Herb list :
Refrences & Litretures:
  
741.      Journal:'Journal of the American Oil Chemists' Society'      Year:'1998'      Volume:'75'      Page:'51'      DOI:'10.1007/s11746-998-0009-8'      Title:'4-Demethylsterols and Triterpene Alcohols from Two Vanilla Bean Species: Vanilla fragrans and V. tahitensis'
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