Skip Navigation Links
ScientificNameLabel
stigmastanol-3beta-p-glyceroxydihydrocoumaroate
PHCD compound ID : 1373
Chemical Names :
stigmastanol-3beta-p-glyceroxydihydrocoumaroate
Molecular Formula : C41H66O5
Molecular Weight : 638.491025
More Details :
Names & Synonyms:
Smiles: CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)CC[C@@H](C2)OC(=O)CCc1ccc(cc1)OC[C@@H](CO)O)C
InChi : InChI=1S/C41H66O5/c1-7-30(27(2)3)12-8-28(4)36-17-18-37-35-16-13-31-24-34(20-22-40(31,5)38(35)21-23-41(36,37)6)46-39(44)19-11-29-9-14-33(15-10-29)45-26-32(43)25-42/h9-10,14-15,27-28,30-32,34-38,42-43H,7-8,11-13,16-26H2,1-6H3/t28-,30-,31+,32-,34+,35+,36-,37+,38+,40+,41-/m1/s1
InChi Key : InChIKey=IPACXLCTDHGFER-QRULMTQLSA-N
PubChem ID :
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 5 Ionization potential : 9.014207
Hydrogen bond donor count : 2 Electric dipole moment : 0.469
XLogP : 13.117 VDW volume : 678.414834
Molecular weight : 638.491025 HOMO-LUMO gap : 9.028000
Herb list :
Refrences & Litretures:
  
146.      Journal:'Phytochem. Anal'      Year:'2006'      Volume:'17'      Page:'36'      DOI:'10.1002/pca.879'      Title:'Chemical Constituents of Rice (Oryza sativa) Hulls and their Herbicidal Activity against Duckweed (Lemna paucicostata Hegelm 381)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us