23432-65-7 Purity
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Specification
The molecular formula of Sedecamycin is C27H35NO8.
The molecular weight of Sedecamycin is 501.6 g/mol.
The molecular weight was computed by PubChem 2.2.
The IUPAC Name of Sedecamycin is [(1S,2R,3E,5E,7S,9E,11E,13S,15R,19R)-7-hydroxy-1,4,10,19-tetramethyl-17,18-dioxo-2-(2-oxopropanoylamino)-16-oxabicyclo[13.2.2]nonadeca-3,5,9,11-tetraen-13-yl] acetate.
The InChI of Sedecamycin is InChI=1S/C27H35NO8/c1-15-7-10-20(31)11-8-16(2)13-23(28-25(33)18(4)29)27(6)24(32)17(3)22(36-26(27)34)14-21(12-9-15)35-19(5)30/h7-9,11-13,17,20-23,31H,10,14H2,1-6H3,(H,28,33)/b11-8+,12-9+,15-7+,16-13+/t17-,20+,21-,22-,23-,27+/m1/s1.
The InChIKey of Sedecamycin is LSNBAGMWJRMBEO-VGBMZARNSA-N.
The Canonical SMILES of Sedecamycin is CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)O)C)OC(=O)C.
The molecular formula computed by PubChem for Sedecamycin is C27H35NO8.
The CAS number of Sedecamycin is 102648-23-7.
The ChEMBL ID for Sedecamycin is CHEMBL2105460.