Skip Navigation Links
ScientificNameLabel
30-Norlupan-3beta-ol-20-one
PHCD compound ID : 2496
Chemical Names :
30-Norlupan-3beta-ol-20-one
Molecular Formula : C29H48O2
Molecular Weight : 428.365431
More Details :
Names & Synonyms: 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone , 1-[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a,5a,5b,8,8,11a-hexamethyl-9-oxidanyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]ethanone
Smiles: CC(=O)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C
InChi : InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1
InChi Key : InChIKey=RCXANGLYPFOYKX-XJJQXQETSA-N
PubChem ID : 490365
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.753384
Hydrogen bond donor count : 1 Electric dipole moment : 3.503
XLogP : 9.816 VDW volume : 463.301714
Molecular weight : 428.365431 HOMO-LUMO gap : 10.724000
Herb list :
Refrences & Litretures:
  
289.      Journal:'International Journal of Pharmaceutical Sciences and Drug Research'      Year:'2010'      Volume:'2'      Page:'91'      DOI:''      Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us