Skip Navigation Links
ScientificNameLabel
Avenasterol
PHCD compound ID : 1987
Chemical Names :
Avenasterol
Molecular Formula : C29H48O1
Molecular Weight : 412.370516
More Details :
Names & Synonyms: (3S,5S,10S,13R,14R,17R)-17-[(Z,1R)-4-isopropyl-1-methyl-hex-4-enyl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol , (3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(Z,2R)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-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]1C2=CC[C@@H]2[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/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3/b21-7-/t20-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChi Key : InChIKey=MCWVPSBQQXUCTB-OQTIOYDCSA-N
PubChem ID : 71587058
Rotatable bond count : 5 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.074021
Hydrogen bond donor count : 1 Electric dipole moment : 1.659
XLogP : 10.819 VDW volume : 464.231487
Molecular weight : 412.370516 HOMO-LUMO gap : 10.401000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us