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Euphorbia Factor L2

CAT: 0931-T5798-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T5798-01Size:1 mg
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CAS Number
218916-51-9
Target
Apoptosis, NF-κB
Related Pathways
Apoptosis, NF-κB
Purity
0.9996
Bioactivity
Euphorbia Factor L2 alleviates lipopolysaccharide-induced acute lung injury and inflammation through inhibits NF-κB activation.
Smiles
[H][C@]12C[C@@H](OC(=O)c3ccccc3)C(=C)[C@H](OC(C)=O)[C@@]3([H])[C@@H](OC(=O)c4ccccc4)[C@@H](C)C[C@]3(OC(C)=O)C(=O)\C(C)=C\[C@@]1([H])C2(C)C
Molecular Formula
C38H42O9
Molecular Weight
642.73
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 101071473

[(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate has been reported in Euphorbia lathyris with data available.

CAS Number218916-51-9
PubChem CID101071473
IUPAC Name[(1R,3Z,5R,7S,9R,11R,12R,13S,14S)-1,11-diacetyloxy-13-benzoyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-9-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
Molecular FormulaC38H42O9
Molecular Weight642.7
XLogP6.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count47
Formal Charge0
Complexity1300
SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)[C@@H](C[C@H]4[C@H](C4(C)C)/C=C(\C2=O)/C)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C
InChI
InChI=1S/C38H42O9/c1-21-18-28-29(37(28,6)7)19-30(45-35(42)26-14-10-8-11-15-26)23(3)33(44-24(4)39)31-32(46-36(43)27-16-12-9-13-17-27)22(2)20-38(31,34(21)41)47-25(5)40/h8-18,22,28-33H,3,19-20H2,1-2,4-7H3/b21-18-/t22-,28+,29-,30+,31+,32-,33-,38+/m0/s1
InChIKey
AFRGWGGHJYMSDU-NKGNXCQNSA-N
Chemical Structure
2D Structure
2D structure of CID 101071473
CAS: 218916-51-9
CID: 101071473
Formula: C38H42O9
MW: 642.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight642.7
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass642.28288291
Monoisotopic Mass642.28288291
Topological Polar Surface Area122 Ų
Heavy Atom Count47
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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