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ScientificNameLabel
arnebiabinone
PHCD compound ID : 5546
Chemical Names :
arnebiabinone
Molecular Formula : C30H26O8
Molecular Weight : 514.162768
More Details :
Names & Synonyms:
Smiles: CC(=C[C@H]1[C@@H]2[C@@H](C(=O)c3c(C2=O)c(O)ccc3O)[C@@H](C2=C1C(=O)c1c(C2=O)c(O)ccc1O)C=C(C)C)C
InChi : InChI=1S/C30H26O8/c1-11(2)9-13-19-21(29(37)25-17(33)7-5-15(31)23(25)27(19)35)14(10-12(3)4)22-20(13)28(36)24-16(32)6-8-18(34)26(24)30(22)38/h5-10,13-14,19,21,31-34H,1-4H3/t13-,14-,19-,21+/m0/s1
InChi Key : InChIKey=AJGBRMOBLUVLIU-KSWFMABOSA-N
PubChem ID :
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.002221
Hydrogen bond donor count : 4 Electric dipole moment : 1.576
XLogP : 1.084 VDW volume : 479.901554
Molecular weight : 514.162768 HOMO-LUMO gap : 7.358000
Herb list :
Refrences & Litretures:
  
936.      Journal:'Journal of Asian Natural Products Research'      Year:'2010'      Volume:'12'      Page:'286'      DOI:'10.1080/10286021003743861'      Title:'Three new compounds from Arnebia euchroma'
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