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Plicamycin
Description
Plicamycin, with the molecular formula C52H76O24, is an organic compound. It may have applications in biochemical and pharmaceutical research.
Basic Information
CAS Number: | 18378-89-7 |
Formula: | C52H76O24 |
Molecular Weight: | 1085.15 |
Specifications & Purity: | ≥95% |
MDL number: | MFCD00135618 |
IUPAC Name: | (2S, 3S)-2-[(2S, 4R, 5R, 6R)-4-[(2S, 4R, 5S, 6R)-4-[(2S, 4S, 5R, 6R)-4, 5-dihydroxy-4, 6-dimethyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-3-[(1S, 3S, 4R)-3, 4-dihydroxy-1-methoxy-2-oxopentyl]-6-[(2S, 4R, 5R, 6R)-4-[(2S, 4R, 5S, 6R)-4, 5-dihydroxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-8, 9-dihydroxy-7-methyl-3, 4-dihydro-2H-anthracen-1-one |
INCHI: | InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8, 65)51(64)24(7)71-37/h10, 12, 19-24, 27-28, 30-37, 41-45, 49-51, 53-61, 64-65H, 11, 13-17H2, 1-9H3/t19-, 20-, 21-, 22-, 23-, 24-, 27+, 28-, 30-, 31-, 32-, 33+, 34+, 35+, 36+, 37+, 41+, 42-, 43-, 44-, 45+, 49+, 50+, 51-, 52+/m1/s1 |
InChi Key: | CFCUWKMKBJTWLW-BKHRDMLASA-N |
Canonical Smiles: | CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O |
Beilstein: | 5236667 |
Melt Point (°C): | 170-175°C |
Storage Temp: | Store at -20°C, Argon charged |
Shipped In: | Dry ice |
Product Properties
Solubility: | soluble in phosphate buffered saline (1 mg/ml), ethanol, ethyl acetate, lower alcohols, and acetone. insoluble in water. |
Database
PubChem CID: | 163659 |
ChEBI: | 31856 |
DrugBank Ligand: | DB06810 |
DrugCentral Ligand: | 2223 |
RCSB PDB Ligand: | QWP |
Safety and Hazards (GHS)
Hazard Statements: | H302: Harmful if swallowed |
Personal Protective Equipment: | dust mask type N95 (US), Eyeshields, Faceshields, Gloves |
Rtecs: | PZ2800000 |
Signal: | Warning |
WGK Germany: | 3 |
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