CAS | 26833-87-4 |
Structure | |
Synonyms | Omacetaxine |
IUPAC Name | 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate |
Molecular Weight | 545.62 |
Molecular Formula | C29H39NO9 |
Canonical SMILES | CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O |
InChI | InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1 |
InChI Key | HYFHYPWGAURHIV-JFIAXGOJSA-N |
Boiling Point | 619.03 °C |
Melting Point | 144-146 °C |
Flash Point | 385.1ºC |
Purity | 98% |
Density | 1.24 g/ml |
pKa | 11.60±0.29 |
Appearance | White powder |
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