Skip Navigation Links
ScientificNameLabel
cycloartenol acetate
PHCD compound ID : 5651
Chemical Names :
cycloartenol acetate
Molecular Formula : C32H52O2
Molecular Weight : 468.396731
More Details :
Names & Synonyms: [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(1R)-1,5-dimethylhex-4-enyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , acetic acid [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester , [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] acetate , [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ethanoate , acetic acid [(1S,3R,6S,8R,11S,12S,15R,16R)-15-[(1R)-1,5-dimethylhex-4-enyl]-7,7,12,16-tetramethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] ester
Smiles: CC(=CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)OC(=O)C)C)C)C
InChi : InChI=1S/C32H52O2/c1-21(2)10-9-11-22(3)24-14-16-30(8)26-13-12-25-28(5,6)27(34-23(4)33)15-17-31(25)20-32(26,31)19-18-29(24,30)7/h10,22,24-27H,9,11-20H2,1-8H3/t22-,24-,25+,26+,27+,29-,30+,31-,32+/m1/s1
InChi Key : InChIKey=PQNTWKDHNSWVPU-OSWLCJEWSA-N
PubChem ID : 13023741
Rotatable bond count : 6 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.170025
Hydrogen bond donor count : 0 Electric dipole moment : 2.002
XLogP : 12.661 VDW volume : 512.553209
Molecular weight : 468.396731 HOMO-LUMO gap : 10.454000
Herb list :
Refrences & Litretures:
  
953.      Journal:'European Medicines Agency'      Year:'2008'      Volume:''      Page:''      DOI:''      Title:'ASSESSMENT REPORT ON POLYPODIUM VULGARE L., RHIZOMA'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us