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Yunaconitoline

CAT: 0931-TN5273Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN5273Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
259099-25-7
Target
Others
Related Pathways
Others
Bioactivity
Yunaconitoline is a natural product for research related to life sciences. The catalog number is TN5273 and the CAS number is 259099-25-7.
Smiles
CCN1C[C@@]2(COC)C3[C@@H](OC)C4[C@@H]1[C@]3(C=CC2=O)[C@@H]1C[C@@]2(O)[C@H](OC(=O)c3ccc(OC)cc3)C1[C@@]4(C[C@@H]2OC)OC(C)=O
Molecular Formula
C34H43NO10
Molecular Weight
625.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[8-Acetyloxy-11-ethyl-5-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-14-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-15-en-4-yl] 4-methoxybenzoate
CAS Number259099-25-7
PubChem CID155886274
IUPAC Name[8-acetyloxy-11-ethyl-5-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-14-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-15-en-4-yl] 4-methoxybenzoate
Molecular FormulaC34H43NO10
Molecular Weight625.7
XLogP1.5
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count45
Formal Charge0
Complexity1270
SMILES
CCN1CC2(C3C(C4C1C3(C=CC2=O)C5CC6(C(CC4(C5C6OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)OC)O)OC)COC
InChI
InChI=1S/C34H43NO10/c1-7-35-16-31(17-40-3)22(37)12-13-32-21-14-33(39)23(42-5)15-34(45-18(2)36,25(28(32)35)26(43-6)27(31)32)24(21)29(33)44-30(38)19-8-10-20(41-4)11-9-19/h8-13,21,23-29,39H,7,14-17H2,1-6H3
InChIKey
SHTGLCWQWPWURU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [8-Acetyloxy-11-ethyl-5-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-14-oxo-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-15-en-4-yl] 4-methoxybenzoate
CAS: 259099-25-7
CID: 155886274
Formula: C34H43NO10
MW: 625.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.7
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass625.28869657
Monoisotopic Mass625.28869657
Topological Polar Surface Area130 Ų
Heavy Atom Count45
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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