Structure

Aurodox

CAS
12704-90-4
Catalog Number
ACM12704904
Category
Other Products
Molecular Weight
810.97
Molecular Formula
C44H62N2O12

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Specification

Synonyms
aurodox, CTK8F7879, 12704-90-4, AG-D-56554, 2H-Pyran-2-acetamide,N-[(2E,4E,6S,7R)-7-[(2S,3S,4R,5R)-5-[(1E,3E,5E)-7-(1,2-dihydro-4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-6-methyl-7-oxo-1,3,5-heptatrienyl]tetrahydro-3,4-dihydroxy-2-furanyl]-6-methoxy-5-methyl-2,4-octadienyl]-a-ethyltetrahydro-2,3,4-trihydroxy-5,5-dimethyl-6-(1E,3Z)-1,3-pentadienyl-,(aS,2R,3R,4R,6S)- (9CI); Mocimycin,1-methyl-; Antibiotic X 5108; Aurodox; Goldinodox; Goldinomycin; X 5108
IUPAC Name
(2S)-N-[(6S,7R)-7-[(2S,5R)-3,4-dihydroxy-5-[7-hydroxy-6-methyl-7-(1-methyl-2,4-dioxopyridin-3-ylidene)hepta-1,3,5-trienyl]oxolan-2-yl]-6-methoxy-5-methylocta-2,4-dienyl]-2-(2,3,4-trihydroxy-5,5-dimethyl-6-penta-1,3-dienyloxan-2-yl)butanamide
Canonical SMILES
CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=C2C(=O)C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O
InChI Key
NJLYFHQZGXUQAQ-QUQIYYDTSA-N
Appearance
Yellow solid
Exact Mass
810.43000
H-Bond Acceptor
12
H-Bond Donor
7
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