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Catalog Number | ACM436055-1 |
CAS Number | 436-05-5 |
Structure | ![]() |
Synonyms | (-)-Bebeerine |
IUPAC Name | (1R,16R)-10,25-Dimethoxy-15,30-dimethyl-7,23-dioxa-15,30- |
Molecular Weight | 594.70 |
Molecular Formula | C36H38N2O6 |
Canonical SMILES | CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC |
InChI | InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)15-21-5-8-25(9-6-21)43-36-34-24(19-33(42-4)35(36)40)12-14-38(2)28(34)16-22-7-10-29(39)30(17-22)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28-/m1/s1 |
InChI Key | NGZXDRGWBULKFA-VSGBNLITSA-N |
Purity | 98%+ (HPLC) |
Storage | Store in dry, low temperature, sealed, 2-8 °C. |
Complexity | 948 |
Exact Mass | 594.27298694 |
Heavy Atom Count | 44 |
Isomeric SMILES | CN1CCC2=CC(=C3C=C2[C@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)N(CCC6=CC(=C5O)OC)C)OC |
Monoisotopic Mass | 594.27298694 |
Topological Polar Surface Area | 83.9Ų |
What is the chemical formula of CURINE?
The chemical formula of CURINE is C36H38N2O6.
What is the molecular weight of CURINE?
The molecular weight of CURINE is 594.7.
What is the melting point of CURINE?
The melting point of CURINE is 213°, and 221° in vacuo.
What is the alpha D20 value of CURINE in pyridine?
The alpha D20 value of CURINE in pyridine is -328°.
What is the boiling point of CURINE?
The boiling point of CURINE is estimated to be 647.35°C.
In which solvents is CURINE slightly soluble and very slightly soluble?
CURINE is slightly soluble in chloroform and very slightly soluble in methanol.
What are the hazard codes associated with CURINE?
The hazard codes associated with CURINE are T+.
What are the risk statements for CURINE?
The risk statements for CURINE are 26/27/28.
What are the safety statements for CURINE?
The safety statements for CURINE are 22-36/37/39-45.
What is the usage of CURINE?
CURINE is used as a bisbenzylisoqinoline alkaloid that displays anti-allergic properties, arrests cell cycle activity, and induces apoptosis.
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