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Chemical structure of Concanamycin C

GC43308

Concanamycin C

Also known as (3E,5Z,13Z,15Z)-18-[4-[4-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3-hydroxypentan-2-yl]-9-ethyl-8,10-dihydroxy-3,17-dimethoxy-5,7,11,13-tetramethyl-1-oxacyclooctadeca-3,5,13,15-tetraen-2-one

Concanamycin C is a natural macrolide antibiotic first isolated from Streptomyces and identified as an inhibitor of T cell proliferation in response to concanavalin A

ChemicalCAS81552-34-3MW823.1FormulaC45H74O13
CAS number
81552-34-3
Molecular weight
823.1
Formula
C45H74O13
Solubility
DMSO： soluble,Methanol： soluble
InChIKey
XKYYLWWOGLVPOR-MRFBZEJSSA-N
Catalogue number
GC43308
Brand
GLPBIO
Computed properties PubChem CID 6441954 · XLogP 6 · TPSA 194 Ų · H-bond donors 6
XLogP
6
TPSA
194 Ų
H-bond donors
6
H-bond acceptors
13
Rotatable bonds
10
Heavy atoms
58

SMILES CCC1C(C(C/C(=C\C=C/C(C(OC(=O)/C(=C\C(=C/C(C1O)C)\C)/OC)C(C)C(C(C)C2(CC(C(C(O2)/C=C/C)C)O[C@@H]3C[C@H]([C@@H]([C@H](O3)C)O)O)O)O)OC)/C)C)O

Computed descriptors from PubChem (CID 6441954), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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