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Euphorbia factor L8

CAT: 0931-TN1635-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN1635-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
218916-53-1
Target
Others
Related Pathways
Others
Purity
0.9823
Bioactivity
Euphorbia factor L8 is a diterpene from Morinda citrifolia seeds.
Smiles
C=C1CC[C@H]2[C@H](C2(C)C)/C=C(C([C@]3(C[C@@H]([C@@H]([C@@H]3[C@H]1OC(C)=O)OC(c4cnccc4)=O)C)OC(C)=O)=O)/C
Molecular Formula
C30H37NO7
Molecular Weight
523.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 131876111
CAS Number218916-53-1
PubChem CID131876111
IUPAC Name[(1R,3Z,5R,7S,11R,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] pyridine-3-carboxylate
Molecular FormulaC30H37NO7
Molecular Weight523.6
XLogP4.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count38
Formal Charge0
Complexity1050
SMILES
C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CN=CC=C3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(\C2=O)/C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H37NO7/c1-16-10-11-22-23(29(22,6)7)13-17(2)27(34)30(38-20(5)33)14-18(3)26(24(30)25(16)36-19(4)32)37-28(35)21-9-8-12-31-15-21/h8-9,12-13,15,18,22-26H,1,10-11,14H2,2-7H3/b17-13-/t18-,22-,23+,24-,25-,26-,30+/m0/s1
InChIKey
PJHBZROILRCFRB-DJYFZMDUSA-N
Chemical Structure
2D Structure
2D structure of CID 131876111
CAS: 218916-53-1
CID: 131876111
Formula: C30H37NO7
MW: 523.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.6
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass523.25700252
Monoisotopic Mass523.25700252
Topological Polar Surface Area109 Ų
Heavy Atom Count38
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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