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Euphorbia factor L1

PubChem CID: 11238221

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Compound Synonyms Euphorbia factor L1, [(1'R,2S,3'E,5'R,7'S,11'R,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] 2-phenylacetate, Euphorbiasteroid, EFL1 diterpene, 76376-43-7, Euphorbia-factor-L1, CHEMBL553622, HY-N2557, CS-0022889
Topological Polar Surface Area 109.0
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 40.0
Isotope Atom Count 0.0
Molecular Complexity 1090.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 8.0
Iupac Name [(1'R,2S,3'E,5'R,7'S,11'R,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] 2-phenylacetate
Prediction Hob 0.0
Xlogp 4.7
Molecular Formula C32H40O8
Prediction Swissadme 0.0
Inchi Key SDGDWRYYHQOQOJ-QZVJJNCDSA-N
Fcsp3 0.625
Logs -4.856
Rotatable Bond Count 8.0
Logd 3.912
Compound Name Euphorbia factor L1
Prediction Hob Swissadme 0.0
Exact Mass 552.272
Formal Charge 0.0
Monoisotopic Mass 552.272
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 552.7
Covalent Unit Count 1.0
Total Atom Stereocenter Count 8.0
Total Bond Stereocenter Count 1.0
Esol -5.7979168
Inchi InChI=1S/C32H40O8/c1-18-14-24-23(30(24,5)6)12-13-31(17-37-31)29(38-20(3)33)26-27(39-25(35)15-22-10-8-7-9-11-22)19(2)16-32(26,28(18)36)40-21(4)34/h7-11,14,19,23-24,26-27,29H,12-13,15-17H2,1-6H3/b18-14+/t19-,23-,24+,26+,27-,29+,31-,32+/m0/s1
Smiles C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)CC3=CC=CC=C3)[C@H]([C@]4(CC[C@H]5[C@H](C5(C)C)/C=C(/C2=O)\C)CO4)OC(=O)C)OC(=O)C
Nring 5.0
Defined Bond Stereocenter Count 1.0