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Decidua terpenolide A
ScientificNameLabel
Decidua terpenolide A
PHCD compound ID :
5151
Chemical Names :
Decidua terpenolide A
Molecular Formula :
C25H38O6
Molecular Weight :
434.266839
More Details :
Names & Synonyms:
Smiles:
C/C(=C/[C@H](CC1=C(C)C(=O)C=CC1(C)C)O)/C[C@H]([C@@H]([C@@H]([C@H]1CC[C@@H](C(=O)O1)C)C)O)O
InChi :
InChI=1S/C25H38O6/c1-14(11-18(26)13-19-16(3)20(27)9-10-25(19,5)6)12-21(28)23(29)17(4)22-8-7-15(2)24(30)31-22/h9-11,15,17-18,21-23,26,28-29H,7-8,12-13H2,1-6H3/b14-11-/t15-,17+,18+,21+,22+,23+/m0/s1
InChi Key :
InChIKey=TYJOTZIPHOLPMU-BHETVASBSA-N
PubChem ID :
Rotatable bond count :
8
Rule of five :
0
Hydrogen bond acceptor count :
6
Ionization potential :
9.559988
Hydrogen bond donor count :
3
Electric dipole moment :
9.390
XLogP :
2.274
VDW volume :
455.802224
Molecular weight :
434.266839
HOMO-LUMO gap :
9.185000
Herb list :
Caper berry, Kureel tree - Capparis decidua - کلیر
Refrences & Litretures:
818. Journal:'International Journal of Phytomedicine' Year:'2010' Volume:'2' Page:'10' DOI:'10.5138/ijpm.2010.0975.0185.02002' Title:'Phytochemical and pharmacological Potential of Kair (Capparis Decidua)'
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