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ScientificNameLabel
Lawsoshamim
PHCD compound ID : 2514
Chemical Names :
Lawsoshamim
Molecular Formula : C32H50O5
Molecular Weight : 514.365825
More Details :
Names & Synonyms: (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetoxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetyloxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid , (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-11-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Smiles: CC(=O)O[C@@H]1C[C@@]2(C)[C@H](C([C@H]1O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@@]1(C)CC[C@@]1([C@H]2CC(C)(C)CC1)C(=O)O)C
InChi : InChI=1S/C32H50O5/c1-19(33)37-22-18-29(6)23(28(4,5)25(22)34)11-12-31(8)24(29)10-9-20-21-17-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h9,21-25,34H,10-18H2,1-8H3,(H,35,36)/t21-,22+,23-,24+,25-,29-,30+,31+,32-/m0/s1
InChi Key : InChIKey=SLLMHUNWRZOHCM-PROZZQCMSA-N
PubChem ID : 21579254
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 5 Ionization potential : 9.048396
Hydrogen bond donor count : 2 Electric dipole moment : 3.892
XLogP : 8.551 VDW volume : 536.287431
Molecular weight : 514.365825 HOMO-LUMO gap : 10.089000
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'
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